SCHEMBL20008239

SCHEMBL20008239

Cc1ccc(C)c(-c2ccnc(N3CCOCC3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.58
RAF1 P04049 14/20 0.58
AR P10275 1/20 0.54
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
SMG1 Q96Q15 1/20 0.52
ATR Q13535 1/20 0.50
ATRIP Q8WXE1 1/20 0.50
PIK3CD O00329 1/20 0.50
LRRK2 Q5S007 1/20 0.48

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
SCHEMBL25222662 0.87 BRAF (0.56) BRAFRAF1CDK1CDK2SMG1
SCHEMBL20008237 0.86 HRH4 (0.47) BRAFRAF1LRRK2
SCHEMBL17850466 0.84 LRRK2 (0.55) CDK1CDK2SMG1PIK3CDLRRK2
SCHEMBL19998588 0.82 USP30 (0.54) BRAFRAF1CDK1CDK2SMG1
SCHEMBL827848 0.81 PIK3CA (0.58) CDK1CDK2SMG1LRRK2
SCHEMBL17430325 0.80 SMG1 (0.47) BRAFRAF1ARCDK1CDK2
SCHEMBL20010376 0.80 AR (0.53) BRAFRAF1ARATRATRIP
SCHEMBL19998635 0.78 LRRK2 (0.48) BRAFRAF1CDK1CDK2SMG1
SCHEMBL17430294 0.78 SMG1 (0.47) BRAFRAF1CDK1CDK2SMG1
SCHEMBL1443070 0.78 AR (0.48) BRAFRAF1ARATRATRIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed