SCHEMBL8115158

SCHEMBL8115158

Oc1ccc(-c2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
ABL1 P00519 15/20 0.68
CDK1 P06493 10/20 0.68
SRC P12931 9/20 0.68
PRKCA P17252 7/20 0.68
PLK4 O00444 1/20 0.57
DAPK3 O43293 1/20 0.57
DYRK3 O43781 1/20 0.57
ROCK2 O75116 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
RET P07949 1/20 0.57
PIM1 P11309 1/20 0.57
FER P16591 1/20 0.57
PRKACA P17612 1/20 0.57
RPS6KB1 P23443 1/20 0.57
CDK2 P24941 1/20 0.57
MARK3 P27448 1/20 0.57
MAPK1 P28482 1/20 0.57
AXL P30530 1/20 0.57

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
SCHEMBL8116135 0.91 EGFR (0.69) EGFRABL1CDK1SRCPRKCA
SCHEMBL8115038 0.90 EGFR (0.69) EGFRABL1CDK1SRCPRKCA
SCHEMBL8124107 0.86 EGFR (0.71) EGFRABL1CDK1SRCPRKCA
SCHEMBL8115114 0.86 EGFR (0.70) EGFRABL1CDK1SRCPRKCA
SCHEMBL4534076 0.85 EGFR (0.55) EGFRABL1CDK1SRCPRKCA
SCHEMBL8115857 0.85 EGFR (0.69) EGFRABL1CDK1SRCPRKCA
SCHEMBL8114816 0.83 EGFR (0.55) EGFRABL1CDK1SRCPRKCA
SCHEMBL8577012 0.83 EGFR (0.53) EGFRABL1CDK1SRCPRKCA
SCHEMBL8115115 0.83 EGFR (0.53) EGFRABL1CDK1SRCPRKCA
SCHEMBL4531293 0.83 EGFR (0.57) EGFRABL1CDK1SRCPRKCA

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 7 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 claimed
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 claimed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 EP claimed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 WO claimed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
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