SCHEMBL18167340

SCHEMBL18167340

C(=Cc1cnn(-c2ccnc3[nH]ccc23)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.61
GRM4 Q14833 1/20 0.50
NUDT1 P36639 6/20 0.44
CHEK1 O14757 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
AURKB Q96GD4 2/20 0.43
ALK Q9UM73 2/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
CSF1R P07333 1/20 0.43

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
SCHEMBL29541092 0.81 PRKCI (0.65) PRKCIGRM4NUDT1AURKBALK
SCHEMBL101483 0.81 PRKCI (0.65) PRKCIGRM4NUDT1AURKBALK
SCHEMBL13774670 0.76 PRKCI (0.70) PRKCIGRM4NUDT1AURKBCCNK
SCHEMBL99352 0.76 PRKCI (1.00) PRKCIGRM4NUDT1AURKBALK
SCHEMBL99235 0.76 PRKCI (0.58) PRKCIGRM4NUDT1AURKBALK
SCHEMBL22930948 0.75 PRKCI (0.65) PRKCIGRM4NUDT1AURKBCCNK
SCHEMBL12330454 0.75 PRKCI (0.57) PRKCIGRM4NUDT1AURKBALK
SCHEMBL3453092 0.74 PRKCI (0.67) PRKCIGRM4NUDT1AURKBALK
SCHEMBL102315 0.73 PRKCI (0.62) PRKCIGRM4NUDT1AURKBALK
SCHEMBL29540824 0.73 PRKCI (0.62) PRKCIGRM4NUDT1AURKBALK

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-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed