SCHEMBL13723671

SCHEMBL13723671

Nc1ncc(F)c(N2CCCCC2CO)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 1/20 0.45
▸ GUCY1A2 P33402 1/20 0.45
▸ GUCY1A1 Q02108 1/20 0.45
▸ GUCY1B1 Q02153 1/20 0.45
▸ CHUK O15111 2/20 0.45
▸ CUL4A Q13619 1/20 0.43
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ CCNE2 O96020 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAP2K7 O14733 1/20 0.38
▸ PAK4 O96013 1/20 0.37
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL13732517 0.74 PDE10A (0.41) ALOX5APKDM4EMTORPDE10A
SCHEMBL22616998 0.73 HRH3 (0.48) CHUKCUL4AADORA2AADORA1ADORA3
SCHEMBL4679581 0.73 CUL4A (0.44) CHUKCUL4AADORA2AADORA1ADORA3
SCHEMBL13724515 0.72 MAP4K1 (0.39) CHUKCUL4ACCNE1CDK2IRAK4
SCHEMBL5204163 0.71 ADORA3 (0.44) CHUKCUL4AADORA2AADORA1ADORA3
SCHEMBL5075232 0.70 CHUK (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CHUK
SCHEMBL5078760 0.70 CHUK (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CHUK
SCHEMBL5075238 0.70 CHUK (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CHUK
SCHEMBL27948440 0.69 MAP4K1 (0.39) CHUKCUL4ACCNE2CDK4CCND1
SCHEMBL4675962 0.69 CHUK (0.42) CHUKCUL4AADORA2AADORA1ADORA3

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-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
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