SCHEMBL14331878

SCHEMBL14331878

CC(NC(=O)c1ccc(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cc1F)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 1.00
▸ AXL P30530 1/20 0.63
▸ JAK1 P23458 2/20 0.57
▸ JAK3 P52333 2/20 0.57
▸ CIT O14578 1/20 0.57
▸ GAK O14976 1/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ ULK1 O75385 1/20 0.57
▸ PRKCB P05771 1/20 0.57
▸ RET P07949 1/20 0.57
▸ PRKCA P17252 1/20 0.57
▸ PRKACA P17612 1/20 0.57
▸ MARK3 P27448 1/20 0.57
▸ TYK2 P29597 1/20 0.57
▸ STAT3 P40763 1/20 0.57
▸ CLK1 P49759 1/20 0.57
▸ CSNK1G2 P78368 1/20 0.57
▸ PRKCD Q05655 1/20 0.57
▸ MAP3K1 Q13233 1/20 0.57
▸ ROCK1 Q13464 1/20 0.57

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
SCHEMBL15801115 1.00 JAK2 (1.00) JAK2AXLJAK1JAK3CIT
SCHEMBL14376754 1.00 JAK2 (1.00) JAK2AXLJAK1JAK3CIT
SCHEMBL14331911 0.94 JAK2 (1.00) JAK2AXLJAK1JAK3CIT
SCHEMBL14377767 0.91 JAK2 (0.84) JAK2AXLJAK1
SCHEMBL29379586 0.91 JAK2 (0.84) JAK2AXLJAK1
SCHEMBL21412834 0.91 JAK2 (0.84) JAK2AXLJAK1
SCHEMBL14376756 0.91 JAK2 (0.84) JAK2AXLJAK1
SCHEMBL14376758 0.91 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL14332136 0.90 JAK2 (1.00) JAK2AXLJAK1JAK3CIT
SCHEMBL14376755 0.90 JAK2 (1.00) JAK2AXLJAK1JAK3CIT

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-2721028-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2014-04-23 — — EP disclosed
WO-2012177606-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-12-27 — — WO disclosed
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