SCHEMBL11069601

SCHEMBL11069601

CCNC(=O)Nc1ccc(-c2ccncc2)c(C(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
ADORA2B P29275 4/20 0.43
MAPK1 P28482 1/20 0.42
PIK3CA P42336 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL11069532 0.74 SMN1; SMN2 (0.51) ADORA2BADORA2AADORA1ADORA3
SCHEMBL11696189 0.74 POLB (0.60) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL11069813 0.73 ADORA2B (0.44) ABL1ADORA2BMAPK1ADORA2AADORA1
SCHEMBL11072262 0.72 PIK3CA (0.54) ABL1PIK3CA
SCHEMBL2552184 0.72
SCHEMBL11066718 0.72 ADORA2B (0.44) ABL1ADORA2BADORA2AADORA1ADORA3
SCHEMBL11065275 0.71 ADORA2B (0.45) ABL1ADORA2BADORA2AADORA1ADORA3
SCHEMBL13904343 0.71 ABL1 (0.47) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL11065170 0.70 ADORA2B (0.47) ABL1ADORA2BADORA2AADORA1ADORA3
SCHEMBL2550762 0.70

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-4448780-A N-(Lower-alkyl)-N'-[5-(pyridinyl)-2-pyridinyl]ureas and cardiotonic use thereof STERLING DRUG INC. (US) 1984-05-15 US disclosed