SCHEMBL3622949

SCHEMBL3622949

N#Cc1ccc(NC2CC[CH]CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 10/20 0.54
CCNK O75909 5/20 0.54
CDK12 Q9NYV4 5/20 0.54
CCNA2 P20248 3/20 0.54
CDK2 P24941 3/20 0.54
DPP4 P27487 3/20 0.52
JAK3 P52333 2/20 0.47
JAK2 O60674 1/20 0.47

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
SCHEMBL15717203 0.90 CCNK (0.62) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL15739639 0.87 CCR6 (0.56) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL12596407 0.87 CCR6 (0.56) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL507198 0.86 CCR6 (0.55) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL2709498 0.84 CCR6 (0.54) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL3808208 0.83 CCNK (0.56) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL27302581 0.83 PDE10A (0.57) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL15014470 0.83 CCNK (0.59) CCR6CCNKCDK12CCNA2CDK2
Hydrochloric Acid SCHEMBL2418183 0.83 CCR6 (0.53) CCR6CCNKCDK12CCNA2CDK2
SCHEMBL31473372 0.82 CCR6 (0.52) CCR6CCNKCDK12CCNA2CDK2

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
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO disclosed