SCHEMBL27762500

SCHEMBL27762500

COc1cccc(-n2cc(-c3ccnc4[nH]ccc34)cn2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.71
KCNH2 Q12809 1/20 0.59
AURKA O14965 1/20 0.57
AURKB Q96GD4 1/20 0.57
INCENP Q9NQS7 1/20 0.57
TPX2 Q9ULW0 1/20 0.57
MKNK1 Q9BUB5 9/20 0.53
CCNK O75909 1/20 0.53
CDK12 Q9NYV4 1/20 0.53
ROCK2 O75116 3/20 0.50
BRD4 O60885 1/20 0.50
MKNK2 Q9HBH9 3/20 0.49
TNIK Q9UKE5 1/20 0.49
ROCK1 Q13464 1/20 0.47
CIT O14578 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
SCHEMBL100305 0.84 GRM4 (1.00) GRM4KCNH2AURKAAURKBINCENP
SCHEMBL101660 0.82 GRM4 (0.70) GRM4KCNH2AURKAAURKBINCENP
SCHEMBL857153 0.81 NUDT1 (0.64) AURKAAURKBINCENPTPX2CCNK
SCHEMBL29540920 0.81 GRM4 (0.72) GRM4AURKAAURKBINCENPTPX2
SCHEMBL100506 0.81 GRM4 (0.72) GRM4AURKAAURKBINCENPTPX2
SCHEMBL100070 0.79 GRM4 (0.66) GRM4KCNH2AURKAAURKBINCENP
SCHEMBL29540638 0.79 GRM4 (0.66) GRM4KCNH2AURKAAURKBINCENP
SCHEMBL100436 0.78 GRM4 (0.68) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29540575 0.78 GRM4 (0.68) GRM4AURKAAURKBINCENPTPX2
SCHEMBL6123302 0.77 GRM4 (0.77) GRM4KCNH2AURKAAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254190-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-08-21 CN claimed
CN-103214484-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP A DELAWARE CORP 2013-07-24 CN claimed
CN-103214483-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-07-24 CN claimed
CN-101448826-A Heteroaryl substituted pyrrolo [2 ] as janus kinase inhibitors INCYTE CORP (US) 2009-06-03 CN claimed