SCHEMBL14768384

SCHEMBL14768384

NC1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.79
MAPK9 P45984 15/20 0.79
MAPK10 P53779 13/20 0.79
CCNE1 P24864 5/20 0.67
CDK2 P24941 5/20 0.67
CYP2C9 P11712 2/20 0.53
HRH4 Q9H3N8 1/20 0.52
CDK1 P06493 3/20 0.52
CCNB1 P14635 3/20 0.52
CCNT1 O60563 2/20 0.52
CDK9 P50750 2/20 0.52
CDK7 P50613 1/20 0.52
CCNH P51946 1/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48

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
SCHEMBL5094141 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5102191 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL14193418 0.88 MAPK8 (0.79) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5102607 0.85 MAPK8 (0.74) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL3809101 0.84 MAPK8 (0.77) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5090282 0.84 MAPK8 (0.77) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5095751 0.84 MAPK8 (0.72) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL5095753 0.84 MAPK8 (0.72) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL3809104 0.83 MAPK8 (0.70) MAPK8MAPK9MAPK10CCNE1CDK2
SCHEMBL8190587 0.82 MAPK8 (0.73) MAPK8MAPK9MAPK10CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US disclosed