SCHEMBL30502815

SCHEMBL30502815

CCOC(=O)c1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2520783 1.00 PKM (0.47) PKMALDH1A1GAALMNAKMT2A
SCHEMBL30502819 1.00 PKM (0.47) PKMALDH1A1GAALMNAKMT2A
SCHEMBL2523851 0.95 PKM (0.52) PKMALDH1A1GAALMNAKMT2A
SCHEMBL26890594 0.88 ALDH1A1 (0.54) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL2519991 0.86 ALDH1A1 (0.54) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL30502812 0.86 ALDH1A1 (0.54) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL31217219 0.86 ALDH1A1 (0.47) PKMALDH1A1GAALMNAKMT2A
SCHEMBL25433999 0.85 ALDH1A1 (0.53) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL25434818 0.84 ALDH1A1 (0.50) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL27136905 0.82 LMNA (0.42) PKMALDH1A1GAALMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709729-A1 PYRAZOLO[4,3-F]QUINAZOLINE DERIVATIVES AS MODULATORS OF G12D MUTANT KRAS USEFUL FOR THE TREATMENT OF CANCER Jazz Pharmaceuticals Ireland Ltd. (IE) 2026-03-18 — — EP disclosed
EP-4680609-A1 KRAS MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
EP-4665735-A1 KRAS INHIBITORS Erasca, Inc. (US) 2025-12-24 — — EP disclosed
WO-2025245105-A1 KRAS INHIBITORS ERASCA, INC. (US) 2025-11-27 — — WO disclosed
EP-4626888-A1 COMPOUNDS Redx Pharma Limited (GB) 2025-10-08 — — EP disclosed
WO-2025106901-A1 COMBINATION CANCER THERAPIES WITH A KRAS MODULATOR AND AN RTK-MAPK PATHWAY INHIBITOR QUANTA THERAPEUTICS, INC. (US) 2025-05-22 — — WO disclosed
WO-2025106905-A1 COMBINATION THERAPIES WITH A KRAS MODULATOR AND AN IMMUNOMODULATOR INHIBITOR QUANTA THERAPEUTICS, INC. (US) 2025-05-22 — — WO disclosed
EP-4532494-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2025-04-09 — — EP disclosed
WO-2025034919-A1 COMBINATION THERAPIES WITH KRAS MODULATORS QUANTA THERAPEUTICS, INC. (US) 2025-02-13 — — WO disclosed
WO-2025034883-A1 COMBINATION THERAPIES WITH KRAS MODULATORS QUANTA THERAPEUTICS, INC. (US) 2025-02-13 — — WO disclosed
EP-4475956-A1 KRAS MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2024-12-18 — — EP disclosed
WO-2024236452-A1 PYRAZOLO[4,3-F]QUINAZOLINE DERIVATIVES AS MODULATORS OF G12D MUTANT KRAS USEFUL FOR THE TREATMENT OF CANCER JAZZ PHARMACEUTICALS IRELAND LTD. (IE) 2024-11-21 — — WO disclosed
WO-2024192424-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2024-09-19 — — WO disclosed
WO-2024173842-A1 KRAS INHIBITORS ERASCA, INC. (US) 2024-08-22 — — WO disclosed
WO-2024115890-A1 COMPOUNDS REDX PHARMA PLC (GB) 2024-06-06 — — WO disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 — — WO disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 — — WO disclosed
Send feedback