SCHEMBL7438720

SCHEMBL7438720

Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 7/20 0.47
KCNN1 Q92952 1/20 0.47
KCNN2 Q9H2S1 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
AGTR1 P30556 3/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
AGTR2 P50052 2/20 0.41
GAA P10253 1/20 0.41
PDE10A Q9Y233 1/20 0.40
GPR39 O43194 1/20 0.40
LMNA P02545 1/20 0.40
PI4KB Q9UBF8 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7447076 0.90 CDK2 (0.44) KCNN3KCNN1KCNN2MEN1KMT2A
SCHEMBL7441525 0.90 CDK2 (0.44) KCNN3KCNN1KCNN2MEN1KMT2A
SCHEMBL7436350 0.90 KCNN3 (0.42) KCNN3KCNN1KCNN2MEN1KMT2A
SCHEMBL7441328 0.89 KCNN3 (0.62) KCNN3KCNN1KCNN2AGTR1CCNE1
SCHEMBL7444483 0.89 KMT2A (0.41) KCNN3KCNN1KCNN2MEN1KMT2A
SCHEMBL7449569 0.89 KCNN3 (0.42) KCNN3KCNN1KCNN2MEN1KMT2A
SCHEMBL7440934 0.89 KCNN3 (0.41) KCNN3KCNN1KCNN2MEN1KMT2A
SCHEMBL7440984 0.89 AGTR1 (0.51) KCNN3KCNN1KCNN2AGTR1CCNE1
SCHEMBL7438282 0.88 RAB9A (0.44) KCNN3KCNN1KCNN2MEN1KMT2A
SCHEMBL7438363 0.88 KCNN3 (0.45) KCNN3KCNN1KCNN2MEN1KMT2A

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-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-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