SCHEMBL1728530

SCHEMBL1728530

CCCn1c(=O)[nH]c(Nc2ccccc2)c(NC(=O)c2cnn(Cc3ccc(C(F)(F)F)c(F)c3)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.42
ADORA3 P0DMS8 7/20 0.42
ADORA2A P29274 6/20 0.42
ADORA1 P30542 7/20 0.40
BUB1 O43683 4/20 0.40
KLKB1 P03952 2/20 0.39
RPS6KA3 P51812 2/20 0.36
PLK4 O00444 1/20 0.36
CDK2 P24941 1/20 0.36
IRAK1 P51617 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
CSNK1G3 Q9Y6M4 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
RPS6KA6 Q9UK32 1/20 0.36

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
SCHEMBL5541331 0.87 ADORA2B (0.45) ADORA2BADORA3ADORA2AADORA1KLKB1
SCHEMBL796431 0.76 ADORA2B (0.58) ADORA2BADORA3ADORA2AADORA1RPS6KA3
SCHEMBL30495481 0.76 ADORA2B (0.58) ADORA2BADORA3ADORA2AADORA1RPS6KA3
SCHEMBL1723697 0.76 ADORA2B (0.52) ADORA2BADORA3ADORA2AADORA1KLKB1
SCHEMBL1546641 0.75 ADORA2B (0.56) ADORA2BADORA3ADORA2AADORA1KLKB1
SCHEMBL1546784 0.73 ADORA2B (0.41) ADORA2BADORA3ADORA2AADORA1KLKB1
SCHEMBL8979404 0.72 ADORA2B (0.49) ADORA2BADORA3ADORA2AADORA1KLKB1
SCHEMBL2686093 0.70 HSD17B10 (0.48) KLKB1
SCHEMBL1546781 0.70 KLKB1 (0.52) ADORA2BADORA3ADORA2AADORA1KLKB1
SCHEMBL1546107 0.70 ADORA2B (0.54) ADORA2BADORA3ADORA2AADORA1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP disclosed