SCHEMBL14377475

SCHEMBL14377475

CC(NC(=O)c1ccc(N2CC(CN)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)cc1)C(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.84
▸ AXL P30530 1/20 0.54
▸ JAK1 P23458 4/20 0.51

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
SCHEMBL14332136 0.91 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL14376755 0.91 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL14331862 0.91 JAK2 (1.00) JAK2AXLJAK1
SCHEMBL14377465 0.90 JAK2 (0.72) JAK2AXLJAK1
Trifluoroacetic Acid SCHEMBL14575175 0.89 JAK2 (0.94) JAK2AXLJAK1
Trifluoroacetic Acid SCHEMBL14575003 0.89 JAK2 (0.94) JAK2AXLJAK1
SCHEMBL14377447 0.85 JAK2 (0.85) JAK2AXLJAK1
SCHEMBL19326987 0.84 JAK2 (0.73) JAK2AXLJAK1
SCHEMBL14331978 0.83 JAK2 (1.00) JAK2AXLJAK1
Trifluoroacetic Acid SCHEMBL14575428 0.82 JAK2 (0.82) JAK2AXLJAK1

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
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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