SCHEMBL7440969

SCHEMBL7440969

Cc1cc(N(C)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(C#N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CSNK2A1 P68400 2/20 0.41
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
AGTR1 P30556 4/20 0.34
AGTR2 P50052 4/20 0.34
MAPK8 P45983 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
MERTK Q12866 1/20 0.34
BRD4 O60885 1/20 0.34
EED O75530 1/20 0.33
CDK2 P24941 1/20 0.33
KMT2A Q03164 2/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL7442737 0.90 CSNK2A1 (0.40) KDM4EALDH1A1GLAHPGDMAPK1
SCHEMBL7446388 0.89 MAPT (0.38) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL7440248 0.87 KDM4E (0.45) KDM4EALDH1A1GLAHPGDMAPK1
SCHEMBL7448815 0.84 TP53 (0.35) MAPTTP53AGTR1AGTR2MAPK8
SCHEMBL7440260 0.82 KMT2A (0.52) KDM4EALDH1A1GLAHPGDMAPK1
SCHEMBL7437565 0.81 MAPT (0.38) MAPTTP53AGTR1AGTR2MAPK8
SCHEMBL7444163 0.80 AGTR1 (0.32) MAPTTP53AGTR1AGTR2MAPK8
SCHEMBL7427170 0.78 CSNK2A1 (0.35) KDM4EALDH1A1GLAHPGDMAPK1
SCHEMBL7437420 0.78 AGTR1 (0.33) MAPK1HSD17B10AGTR1AGTR2CDK2
SCHEMBL7434028 0.78 AGTR1 (0.34) KDM4EALDH1A1GLAHPGDMAPK1

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