SCHEMBL3374818

SCHEMBL3374818

COc1cnc(Nc2cccc(-c3cnco3)c2)nc1-c1cnn(CC(C#N)C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.40
▸ EGFR P00533 4/20 0.39
▸ ERBB2 P04626 4/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ TYK2 P29597 3/20 0.39
▸ STAT3 P40763 3/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ KDR P35968 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ IMPDH2 P12268 4/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ MAP3K7 O43318 1/20 0.35

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
SCHEMBL3312875 0.85 JAK2 (0.57) PRKCQTBK1EGFRERBB2JAK2
SCHEMBL3373616 0.83 JAK2 (0.40) EGFRJAK2JAK1TYK2STAT3
SCHEMBL3712108 0.82 JAK2 (0.52) PRKCQTBK1EGFRERBB2JAK2
SCHEMBL13846270 0.80 PRKCQ (0.43) PRKCQTBK1EGFRERBB2JAK2
SCHEMBL3376249 0.77 JAK2 (0.39) TBK1JAK2JAK1TYK2STAT3
SCHEMBL3304605 0.76 JAK2 (0.60) TBK1JAK2JAK1TYK2STAT3
SCHEMBL2358114 0.76 JAK2 (0.70) PRKCQTBK1JAK2JAK1TYK2
SCHEMBL2363861 0.71 ABL1 (0.49) TBK1EGFRJAK2JAK1TYK2
SCHEMBL3306155 0.70 JAK2 (0.57) TBK1JAK2JAK1TYK2STAT3
SCHEMBL2358980 0.70 JAK2 (0.51) PRKCQTBK1EGFRJAK2JAK1

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-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 — — WO disclosed
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