SCHEMBL31217320

SCHEMBL31217320

COCOCc1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ PKM P14618 3/20 0.46
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31217438 0.94 ALDH1A1 (0.51) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL25433441 0.85 ALDH1A1 (0.54) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL26890594 0.79 ALDH1A1 (0.54) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL25434397 0.79 ALDH1A1 (0.56) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL2520783 0.78 PKM (0.47) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL30502819 0.78 PKM (0.47) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL30502815 0.78 PKM (0.47) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL2519991 0.77 ALDH1A1 (0.54) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL25433128 0.77 ALDH1A1 (0.54) ALDH1A1PKMLMNASMN1; SMN2POLB
SCHEMBL30502812 0.77 ALDH1A1 (0.54) ALDH1A1PKMLMNASMN1; SMN2POLB

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 2 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
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
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