SCHEMBL22097792

SCHEMBL22097792

Cc1cnc(Nc2cnn(C3CCCN(C)C3)c2)nc1-c1ccc(C(=O)NCC#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.60
▸ JAK3 P52333 18/20 0.60
▸ JAK1 P23458 15/20 0.60
▸ TYK2 P29597 2/20 0.44
▸ STAT3 P40763 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44

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
SCHEMBL29941749 0.91 JAK3 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22089802 0.91 JAK3 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29942192 0.90 JAK2 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22089909 0.90 JAK2 (0.65) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29941801 0.88 JAK2 (0.46) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22089912 0.88 JAK2 (0.46) JAK2JAK3JAK1TYK2STAT3
SCHEMBL24852601 0.87 JAK2 (0.62) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22097936 0.87 JAK2 (0.62) JAK2JAK3JAK1TYK2STAT3
SCHEMBL27448371 0.87 JAK2 (0.62) JAK2JAK3JAK1TYK2STAT3
SCHEMBL22097994 0.86 JAK2 (0.64) JAK2JAK3JAK1TYK2STAT3

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-2020119819-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 — — WO disclosed
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