SCHEMBL7433795

SCHEMBL7433795

CC(C)c1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
CCNT1 O60563 19/20 0.39
CDK9 P50750 19/20 0.39
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
CDK1 P06493 2/20 0.39
CCNA2 P20248 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK3 Q00526 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CDK7 P50613 3/20 0.34
CCNH P51946 3/20 0.34

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
SCHEMBL7441316 0.88 DPP4 (0.42) DPP4
SCHEMBL7438702 0.88 DPP4 (0.42) DPP4
SCHEMBL7433754 0.85 DPP4 (0.41) DPP4
SCHEMBL7438343 0.85 DPP4 (0.41) DPP4
SCHEMBL7438026 0.84 DPP4 (0.42) DPP4CCNT1CDK9CDK4CCND1
SCHEMBL7442347 0.84 DPP4 (0.40) DPP4
SCHEMBL7437185 0.84 DPP4 (0.39) DPP4CCNT1CDK9CDK2CDK7
SCHEMBL7441612 0.83 DPP4 (0.39) DPP4
SCHEMBL7433851 0.82 DPP4 (0.36) DPP4
SCHEMBL7442649 0.82 DPP4 (0.38) DPP4CCNT1CDK9CDK2CDK7

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