SCHEMBL3659104

SCHEMBL3659104

N#CC(c1ccccn1)c1ccnc(NCCc2cccnc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.68
MAPK9 P45984 4/20 0.68
MAPK8 P45983 2/20 0.68
MKNK1 Q9BUB5 3/20 0.48
MKNK2 Q9HBH9 3/20 0.48
OGA O60502 1/20 0.46
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
SGK1 O00141 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
RAF1 P04049 1/20 0.42
SRC P12931 1/20 0.42
BLK P51451 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MAP2K6 P52564 1/20 0.42
CCNA1 P78396 1/20 0.42
MAPK14 Q16539 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL3562692 0.86 MAPK10 (0.67) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL3574117 0.84 MAPK10 (0.52) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL3562691 0.84 MAPK10 (0.52) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL3572139 0.83 MAPK10 (0.48) MAPK10MAPK9MAPK8OGAKDM4E
SCHEMBL3575426 0.82 MAPK8 (0.50) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL29432586 0.81 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL21067982 0.81 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL5618538 0.81 MAPK10 (0.66) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL186278 0.81 MAPK10 (1.00) MAPK10MAPK9MAPK8MKNK1MKNK2
SCHEMBL3569491 0.80 MAPK8 (0.46) MAPK10MAPK9MAPK8MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633363-B1 PYRIDINYL ACETONITRILES MERCK SERONO SA (CH) 2012-11-07 EP claimed
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US claimed