SCHEMBL8837828

SCHEMBL8837828

CCOc1cccc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.73
BCR P11274 5/20 0.73
PRKCA P17252 5/20 0.73
CSNK2A1 P68400 1/20 0.65
EGFR P00533 3/20 0.61
SRC P12931 3/20 0.61
PRKCD Q05655 3/20 0.61
PRKACA P17612 2/20 0.61
PRKACG P22612 2/20 0.61
PRKACB P22694 2/20 0.61
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
PIK3CG P48736 4/20 0.53
PIK3CA P42336 3/20 0.53
SYK P43405 5/20 0.52
PIK3CB P42338 3/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CCNA1 P78396 2/20 0.52
CCNB2 O95067 1/20 0.52

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
SCHEMBL8837857 0.90 ABL1 (0.76) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837875 0.90 ABL1 (0.78) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837903 0.86 PRKCA (0.83) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL1255 0.85 ABL1 (0.80) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837778 0.85 ABL1 (0.77) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837795 0.85 ABL1 (0.80) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837830 0.84 ABL1 (0.70) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL1269 0.84 ABL1 (1.00) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837800 0.84 ABL1 (0.76) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837887 0.84 CSNK2A1 (0.81) ABL1BCRPRKCACSNK2A1EGFR

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 2 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