SCHEMBL6186002

SCHEMBL6186002

CC(C)(C)OC(=O)NCc1ccc(Nc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.61
CDK1 P06493 7/20 0.61
ABL1 P00519 8/20 0.59
PRKCA P17252 5/20 0.59
SRC P12931 6/20 0.58
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.45
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
BRD4 O60885 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
ABL2 P42684 2/20 0.43
IGF1R P08069 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
Water SCHEMBL8114880 0.99 EGFR (0.60) EGFRCDK1ABL1PRKCASRC
SCHEMBL8579739 0.95 EGFR (0.69) EGFRCDK1ABL1PRKCASRC
SCHEMBL6188390 0.94 EGFR (0.57) EGFRCDK1ABL1PRKCASRC
SCHEMBL6186182 0.94 EGFR (0.64) EGFRCDK1ABL1PRKCASRC
SCHEMBL8578273 0.91 EGFR (0.70) EGFRCDK1ABL1PRKCASRC
SCHEMBL6184887 0.91 EGFR (0.55) EGFRCDK1ABL1PRKCASRC
SCHEMBL6185513 0.88 EGFR (0.59) EGFRCDK1ABL1PRKCASRC
SCHEMBL8124691 0.88 CDK1 (0.76) EGFRCDK1ABL1PRKCASRC
SCHEMBL8122065 0.87 EGFR (0.66) EGFRCDK1ABL1PRKCASRC
SCHEMBL6186191 0.86 EGFR (0.67) EGFRCDK1ABL1PRKCASRC

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 10 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
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO 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-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6251911-B1 Pyrimidine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 2001-06-26 US disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO disclosed