SCHEMBL7438282

SCHEMBL7438282

Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cn2)n2nccc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KCNN3 Q9UGI6 6/20 0.41
KCNN1 Q92952 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
MEN1 O00255 1/20 0.39
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE10A Q9Y233 3/20 0.38
GAA P10253 1/20 0.36
GPR39 O43194 1/20 0.36
AGTR1 P30556 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
SCHEMBL7434311 0.90 AGTR1 (0.45) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL7438720 0.88 KCNN3 (0.47) RAB9AMAPTNPC1KMT2AKCNN3
SCHEMBL7448517 0.83 GPR39 (0.44) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL7449569 0.81 KCNN3 (0.42) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL7440794 0.81 MEN1 (0.39) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL7441525 0.80 CDK2 (0.44) RAB9AMAPTNPC1KMT2AKCNN3
SCHEMBL7447076 0.80 CDK2 (0.44) RAB9AMAPTNPC1KMT2AKCNN3
SCHEMBL7444483 0.80 KMT2A (0.41) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL7440984 0.79 AGTR1 (0.51) KCNN3KCNN1KCNN2CCNE1CDK2
SCHEMBL7438261 0.79 DPP4 (0.34)

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