SCHEMBL7437185

SCHEMBL7437185

CCCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
CDK7 P50613 2/20 0.35
CDK9 P50750 2/20 0.35
CDK2 P24941 1/20 0.35
CDK13 Q14004 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCNT1 O60563 1/20 0.30
CCNH P51946 1/20 0.30

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
SCHEMBL7442649 0.95 DPP4 (0.38) DPP4CDK7CDK9CDK2CDK13
SCHEMBL7433754 0.93 DPP4 (0.41) DPP4
SCHEMBL7444418 0.88 AXL (0.35) CDK7CDK9CDK2CDK13CDK12
SCHEMBL7441316 0.86 DPP4 (0.42) DPP4
SCHEMBL7438702 0.86 DPP4 (0.42) DPP4SMN1; SMN2
SCHEMBL7441612 0.85 DPP4 (0.39) DPP4
SCHEMBL7438026 0.85 DPP4 (0.42) DPP4CDK7CDK9CDK2CCNT1
SCHEMBL7433795 0.84 DPP4 (0.41) DPP4CDK7CDK9CDK2CCNT1
SCHEMBL7438343 0.84 DPP4 (0.41) DPP4
SCHEMBL7433727 0.83 DPP4 (0.34) DPP4CDK7CDK9CDK2CDK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed