SCHEMBL6128200

SCHEMBL6128200

N#CCC1(n2ccc(-c3ncnc4[nH]ccc34)c2)CC(N2CCN(C(=O)c3ccnc(C(F)F)c3F)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.66
JAK2 O60674 18/20 0.59
AXL P30530 2/20 0.56
MERTK Q12866 2/20 0.56
TYK2 P29597 1/20 0.55
JAK3 P52333 1/20 0.55
TYRO3 Q06418 1/20 0.55

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
SCHEMBL6127610 0.90 AXL (0.70) JAK1JAK2AXLMERTKTYK2
SCHEMBL9894036 0.90 AXL (0.70) JAK1JAK2AXLMERTKTYK2
SCHEMBL9893817 0.90 AXL (0.70) JAK1JAK2AXLMERTKTYK2
SCHEMBL2396844 0.80 JAK1 (1.00) JAK1JAK2AXLMERTKTYK2
SCHEMBL30986012 0.80 JAK1 (1.00) JAK1JAK2AXLMERTKTYK2
SCHEMBL9894050 0.79 JAK2 (0.82) JAK1JAK2AXLMERTKTYK2
SCHEMBL9894484 0.79 JAK2 (0.82) JAK1JAK2AXLMERTKTYK2
SCHEMBL6126998 0.79 JAK2 (0.82) JAK1JAK2AXLMERTKTYK2
SCHEMBL6126788 0.79 JAK2 (0.50) JAK1JAK2AXLMERTKTYK2
SCHEMBL2392894 0.78 JAK2 (0.81) JAK1JAK2

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-2640723-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2013-09-25 EP disclosed
WO-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed