SCHEMBL8837807

SCHEMBL8837807

FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 5/20 0.79
▸ ABL1 P00519 5/20 0.79
▸ BCR P11274 5/20 0.79
▸ CSNK2A1 P68400 1/20 0.67
▸ PRKCD Q05655 3/20 0.63
▸ EGFR P00533 2/20 0.63
▸ SRC P12931 2/20 0.63
▸ PRKACA P17612 2/20 0.63
▸ PRKACG P22612 2/20 0.63
▸ PRKACB P22694 2/20 0.63
▸ PIK3CG P48736 5/20 0.54
▸ PIK3CA P42336 4/20 0.54
▸ PIK3CB P42338 4/20 0.54
▸ PDGFRB P09619 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ CDK4 P11802 2/20 0.48
▸ CCNA2 P20248 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CCND3 P30281 2/20 0.48
▸ CCNA1 P78396 2/20 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
SCHEMBL8837903 0.90 PRKCA (0.83) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL8837805 0.89 PRKCA (0.81) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL8837820 0.88 PRKCA (1.00) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL8837795 0.88 ABL1 (0.80) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL1269 0.88 ABL1 (1.00) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL8837810 0.88 PRKCA (0.80) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL8837915 0.88 ABL1 (0.79) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL8837875 0.87 ABL1 (0.78) PRKCAABL1BCRCSNK2A1PRKCD
Water SCHEMBL8837843 0.87 PRKCA (0.78) PRKCAABL1BCRCSNK2A1PRKCD
SCHEMBL8837778 0.86 ABL1 (0.77) PRKCAABL1BCRCSNK2A1PRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 — — US claimed
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 — — US disclosed
EP-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 — — EP disclosed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 — — WO disclosed
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