SCHEMBL8967100

SCHEMBL8967100

FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3cccs3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.72
BCR P11274 4/20 0.72
PRKCA P17252 4/20 0.72
SRC P12931 3/20 0.60
EGFR P00533 2/20 0.60
PRKACA P17612 2/20 0.60
PRKACG P22612 2/20 0.60
PRKACB P22694 2/20 0.60
PRKCD Q05655 2/20 0.60
CSNK2A1 P68400 1/20 0.57
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
SYK P43405 6/20 0.49
PIK3CG P48736 3/20 0.47
PIK3CA P42336 2/20 0.47
CDK2 P24941 3/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL1269 0.84 ABL1 (1.00) ABL1BCRPRKCASRCEGFR
SCHEMBL8966527 0.82 ABL1 (0.77) ABL1BCRPRKCASRCEGFR
SCHEMBL7468142 0.82 PIK3CG (0.67) SRCEGFRCSNK2A1SYKPIK3CG
SCHEMBL8837915 0.81 ABL1 (0.79) ABL1BCRPRKCASRCEGFR
SCHEMBL8837875 0.81 ABL1 (0.78) ABL1BCRPRKCASRCEGFR
SCHEMBL1662 0.80 ABL1 (0.77) ABL1BCRPRKCASRCEGFR
SCHEMBL8837795 0.80 ABL1 (0.80) ABL1BCRPRKCASRCEGFR
SCHEMBL8837820 0.80 PRKCA (1.00) ABL1BCRPRKCASRCEGFR
SCHEMBL8837778 0.80 ABL1 (0.77) ABL1BCRPRKCASRCEGFR
SCHEMBL1255 0.80 ABL1 (0.80) ABL1BCRPRKCASRCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672040-A1 FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009852-A1 FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1995-04-13 WO claimed
US-5543520-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1996-08-06 US disclosed