SCHEMBL8837800

SCHEMBL8837800

COc1cc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)ccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.76
▸ BCR P11274 4/20 0.76
▸ PRKCA P17252 4/20 0.76
▸ CSNK2A1 P68400 1/20 0.65
▸ EGFR P00533 3/20 0.61
▸ SRC P12931 2/20 0.61
▸ PRKACA P17612 2/20 0.61
▸ PRKACG P22612 2/20 0.61
▸ PRKACB P22694 2/20 0.61
▸ PRKCD Q05655 2/20 0.61
▸ PIK3CG P48736 5/20 0.58
▸ PIK3CA P42336 4/20 0.58
▸ PIK3CB P42338 4/20 0.57
▸ CDK2 P24941 3/20 0.55
▸ GSK3B P49841 2/20 0.55
▸ PDGFRB P09619 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ SMG1 Q96Q15 1/20 0.51
▸ MAPT P10636 1/20 0.50

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
SCHEMBL8837795 0.87 ABL1 (0.80) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL1269 0.86 ABL1 (1.00) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL27115896 0.86 PIK3CG (0.76) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837915 0.86 ABL1 (0.79) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837807 0.86 PRKCA (0.79) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837875 0.85 ABL1 (0.78) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837813 0.85 ABL1 (0.72) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837778 0.85 ABL1 (0.77) ABL1BCRPRKCACSNK2A1EGFR
SCHEMBL8837828 0.84 ABL1 (0.73) 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 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
EP-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 — — EP claimed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 — — WO claimed
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 — — US disclosed
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