SCHEMBL1725995

SCHEMBL1725995

CCC(C)Cn1c(-c2cnn(Cc3cccc(C(F)(F)F)c3)c2)nc2nc[nH]c(=O)c21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.50
ADORA2A P29274 14/20 0.49
ADORA1 P30542 13/20 0.49
ADORA3 P0DMS8 13/20 0.49
PLK4 O00444 1/20 0.45
CDK2 P24941 1/20 0.45
IRAK1 P51617 1/20 0.45
RPS6KA3 P51812 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
CSNK1G3 Q9Y6M4 1/20 0.45
ALK Q9UM73 1/20 0.43

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
SCHEMBL15064464 0.79 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL798904 0.78 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064585 0.78 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL797623 0.78 ADORA2B (0.42) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15642929 0.75 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3
SCHEMBL15642922 0.75 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064644 0.74 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1725997 0.73 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL1725999 0.73 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL15064900 0.73 ADORA2B (0.37) ADORA2BADORA2AADORA1ADORA3PLK4

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
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO disclosed