SCHEMBL16673739

SCHEMBL16673739

[O]c1ccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.62
GRM4 Q14833 1/20 0.51
AURKB Q96GD4 3/20 0.46
AURKA O14965 2/20 0.46
INCENP Q9NQS7 2/20 0.46
TPX2 Q9ULW0 2/20 0.46
AKT2 P31751 1/20 0.40
NUDT1 P36639 5/20 0.38
CHEK1 O14757 2/20 0.38
ATR Q13535 2/20 0.38
PIK3CA P42336 1/20 0.38
AXL P30530 1/20 0.38
IKBKB O14920 3/20 0.38
CHUK O15111 3/20 0.38
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38
KCNH2 Q12809 1/20 0.38
ATM Q13315 1/20 0.38
PBK Q96KB5 2/20 0.38
DAPK3 O43293 1/20 0.38

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
SCHEMBL99830 0.87 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL100052 0.87 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL101483 0.87 PRKCI (0.65) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL29541092 0.87 PRKCI (0.65) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL20873093 0.85 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL101409 0.84 PRKCI (0.56) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL29540652 0.84 PRKCI (0.56) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL103041 0.84 PRKCI (0.58) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL29540955 0.84 PRKCI (0.58) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL100683 0.84 PRKCI (0.58) PRKCIGRM4AURKBAURKAINCENP

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-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
EP-2343298-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed