SCHEMBL8124441

SCHEMBL8124441

COc1ccc(CNc2n[nH]c(N)c2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.54
▸ GAA P10253 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ MAP2K4 P45985 1/20 0.49
▸ PDE5A O76074 1/20 0.47
▸ APP P05067 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CDK1 P06493 2/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ EGFR P00533 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ NR2F2 P24468 1/20 0.43

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
SCHEMBL8124761 0.86 GAA (0.47) PLA2G2AGAAHTTMAP2K4TSHR
SCHEMBL8124328 0.85 PLA2G2A (0.56) PLA2G2AGAAHTTPDE5AAPP
SCHEMBL6189743 0.83 HPGD (0.52) PLA2G2AGAAHTTAPPTSHR
SCHEMBL8123598 0.81 PLA2G2A (0.63) PLA2G2AGAAHTTKDM4EALDH1A1
SCHEMBL16629070 0.80 EGFR (0.54) GAAHTTPDE5AAPPTSHR
SCHEMBL8124075 0.79 MAPK8 (0.49) PLA2G2AGAAHTTTSHRALDH1A1
SCHEMBL8580908 0.78 L3MBTL1 (0.45) PLA2G2AGAAKDM4EMAPTGFER
SCHEMBL8122343 0.78 GAA (0.44) GAAHTTMAP2K4PDE5ATSHR
SCHEMBL28255605 0.76 TSHR (0.63) GAAHTTPDE5AAPPTSHR
SCHEMBL8124145 0.74 ADORA1 (0.65) PLA2G2AKDM4EALDH1A1HPGDMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819129-B1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2000-08-02 — — EP disclosed
US-5981533-A INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS NOVARTIS AG (CH) 1999-11-09 — — US disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 — — WO disclosed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 — — EP disclosed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 — — WO disclosed
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