SCHEMBL18602143

SCHEMBL18602143

N#Cc1ccn(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.49
AKT2 P31751 1/20 0.43
AXL P30530 1/20 0.41
NUDT1 P36639 5/20 0.40
JAK3 P52333 3/20 0.40
PBK Q96KB5 2/20 0.40
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
JAK2 O60674 2/20 0.37
PRKACA P17612 2/20 0.37
PRKCQ Q04759 2/20 0.37
ROCK1 Q13464 2/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 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
SCHEMBL99492 0.80 PRKCI (0.43) PRKCIAKT2AXLNUDT1JAK3
SCHEMBL13774669 0.78 PRKCI (0.52) PRKCIAKT2AXLNUDT1JAK3
SCHEMBL10179493 0.78 PRKCI (0.42) PRKCIAKT2NUDT1JAK3PBK
SCHEMBL100042 0.77 GRM5 (0.57) PRKCINUDT1JAK3JAK2PRKACA
SCHEMBL29540469 0.75 PRKCI (0.55) PRKCIAKT2AXLNUDT1JAK3
SCHEMBL101819 0.75 PRKCI (0.55) PRKCIAKT2AXLNUDT1JAK3
SCHEMBL29540619 0.74 JAK2 (0.52) PRKCIAKT2NUDT1JAK3CCNK
SCHEMBL100939 0.74 JAK2 (0.52) PRKCIAKT2NUDT1JAK3CCNK
SCHEMBL18599530 0.74 PRKCI (0.38) PRKCIAKT2AXLNUDT1JAK3
SCHEMBL19062267 0.72 PRKCI (0.37) PRKCIAKT2NUDT1JAK3PBK

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-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed