SCHEMBL8837864

SCHEMBL8837864

NCCNC(=O)c1cccc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.62
BCR P11274 10/20 0.62
PRKCA P17252 7/20 0.62
CSNK2A1 P68400 2/20 0.61
SRC P12931 6/20 0.59
EGFR P00533 3/20 0.59
PRKCD Q05655 4/20 0.53
PRKACA P17612 2/20 0.53
PRKACG P22612 2/20 0.53
PRKACB P22694 2/20 0.53
PDGFRB P09619 4/20 0.53
PDGFRA P16234 4/20 0.53
CAMK2D Q13557 1/20 0.49
CDC7 O00311 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
IKBKG Q9Y6K9 1/20 0.46
SYK P43405 2/20 0.45
PRKD3 O94806 1/20 0.44

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
SCHEMBL8837783 0.92 CSNK2A1 (0.67) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3511553 0.92 CSNK2A1 (0.66) ABL1BCRPRKCACSNK2A1SRC
Hydrochloric Acid SCHEMBL3511724 0.91 CSNK2A1 (0.65) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3514107 0.87 CSNK2A1 (0.66) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837776 0.87 ABL1 (0.70) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837830 0.87 ABL1 (0.70) ABL1BCRPRKCACSNK2A1SRC
Hydrochloric Acid SCHEMBL3511423 0.86 CSNK2A1 (0.65) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837787 0.86 ABL1 (0.71) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL3510088 0.84 CSNK2A1 (0.70) ABL1BCRPRKCACSNK2A1SRC
SCHEMBL8837819 0.83 CSNK2A1 (0.71) 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