SCHEMBL31217438

SCHEMBL31217438

COCc1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ PKM P14618 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 3/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ACHE P22303 1/20 0.40

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
SCHEMBL31217320 0.94 ALDH1A1 (0.48) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL25433441 0.87 ALDH1A1 (0.54) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL26890594 0.81 ALDH1A1 (0.54) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL25434397 0.81 ALDH1A1 (0.56) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL2520783 0.80 PKM (0.47) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL30502815 0.80 PKM (0.47) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL30502819 0.80 PKM (0.47) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL2519991 0.79 ALDH1A1 (0.54) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL25433128 0.79 ALDH1A1 (0.54) ALDH1A1PKMLMNAPOLBKMT2A
SCHEMBL30502812 0.79 ALDH1A1 (0.54) ALDH1A1PKMLMNAPOLBKMT2A

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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