SCHEMBL100482

SCHEMBL100482

OCc1cn(-c2ccnc3[nH]ccc23)nc1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.45
JAK2 O60674 10/20 0.45
JAK3 P52333 9/20 0.45
TYK2 P29597 7/20 0.45
PRKCI P41743 1/20 0.43
AKT2 P31751 1/20 0.43
PBK Q96KB5 2/20 0.42
NUDT1 P36639 2/20 0.42
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
PIK3C3 Q8NEB9 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
SCHEMBL22930983 0.70 JAK1 (0.41) JAK1JAK2JAK3TYK2PRKCI
SCHEMBL101906 0.69 JAK1 (0.42) JAK1JAK2JAK3TYK2PRKCI
SCHEMBL3453092 0.69 PRKCI (0.67) JAK1JAK2JAK3TYK2PRKCI
SCHEMBL10187808 0.69 PRKCI (0.49) JAK1JAK2PRKCIAKT2PBK
SCHEMBL15426656 0.68 AKT2 (0.44) JAK1JAK2JAK3TYK2PRKCI
SCHEMBL14605151 0.68 JAK1 (0.59) JAK1JAK2JAK3TYK2CCNE1
SCHEMBL98681 0.67 PRKCI (0.43) JAK2JAK3PRKCIAKT2PBK
SCHEMBL100483 0.67 PRKCI (0.54) JAK1JAK2JAK3TYK2PRKCI
SCHEMBL2279760 0.67 JAK3 (0.55) JAK1JAK2JAK3TYK2PRKCI
SCHEMBL101265 0.67 PRKCI (0.50) JAK2JAK3PRKCIAKT2PBK

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-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP claimed