SCHEMBL8837915

SCHEMBL8837915

Nc1cc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)ccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.79
BCR P11274 6/20 0.79
PRKCA P17252 4/20 0.79
CSNK2A1 P68400 1/20 0.67
SRC P12931 4/20 0.63
EGFR P00533 3/20 0.63
PRKACA P17612 3/20 0.63
PRKACG P22612 3/20 0.63
PRKACB P22694 3/20 0.63
PRKCD Q05655 2/20 0.63
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
PIK3CG P48736 4/20 0.52
PIK3CA P42336 3/20 0.52
PIK3CB P42338 3/20 0.51
CDK5 Q00535 2/20 0.48
CAMK2D Q13557 2/20 0.47
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 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
SCHEMBL8837795 0.88 ABL1 (0.80) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL1269 0.88 ABL1 (1.00) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837759 0.88 ABL1 (0.76) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837807 0.88 PRKCA (0.79) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837875 0.87 ABL1 (0.78) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL2322146 0.87 ABL1 (0.74) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837778 0.86 ABL1 (0.77) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3511762 0.86 ABL1 (0.73) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837800 0.86 ABL1 (0.76) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837903 0.85 PRKCA (0.83) ABL1BCRPRKCACSNK2A1SRC

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