SCHEMBL10187808

SCHEMBL10187808

Cc1nn(-c2ccnc3[nH]ccc23)cc1CN

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.49
AKT2 P31751 4/20 0.43
PBK Q96KB5 2/20 0.40
GSK3B P49841 1/20 0.40
NUDT1 P36639 5/20 0.38
CCNK O75909 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
AXL P30530 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL18602396 0.83 PRKCI (0.45) PRKCIAKT2PBKNUDT1CCNK
SCHEMBL18602200 0.82 PRKCI (0.55) PRKCIAKT2PBKNUDT1CCNK
SCHEMBL101234 0.82 PRKCI (0.44) PRKCIAKT2NUDT1CCNKCDK12
SCHEMBL101300 0.82 PRKCI (0.44) PRKCIAKT2PBKNUDT1CCNK
SCHEMBL18602146 0.80 PRKCI (0.46) PRKCIAKT2NUDT1CCNKCDK12
SCHEMBL100453 0.80 PRKCI (0.59) PRKCIAKT2PBKNUDT1CCNK
SCHEMBL29540813 0.80 PRKCI (0.59) PRKCIAKT2PBKNUDT1CCNK
SCHEMBL12330233 0.80 PRKCI (0.52) PRKCIAKT2PBKNUDT1CCNK
SCHEMBL100065 0.78 PRKCI (0.47) PRKCIAKT2PBKNUDT1CCNK
SCHEMBL29541013 0.78 PRKCI (0.47) PRKCIAKT2PBKNUDT1CCNK

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
EP-2474545-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-07-11 EP disclosed