SCHEMBL3825428

SCHEMBL3825428

NC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1CC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 13/20 0.49
▸ JAK3 P52333 3/20 0.43
▸ BTK Q06187 2/20 0.43
▸ TXK P42681 1/20 0.41
▸ KDR P35968 2/20 0.41
▸ ITK Q08881 2/20 0.40
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL3832197 0.90 NTRK1 (0.45) NTRK1JAK3BTKTXKKDR
SCHEMBL3832186 0.83 NTRK1 (0.47) NTRK1JAK3BTKTXKKDR
SCHEMBL3827914 0.82 NTRK1 (0.51) NTRK1JAK3BTKTXKKDR
SCHEMBL3826242 0.80 NTRK1 (0.46) NTRK1JAK3BTKTXKKDR
SCHEMBL2065662 0.79 NTRK1 (0.44) NTRK1JAK3BTKTXKKDR
SCHEMBL3844605 0.78 SRC (0.54) JAK3BTKTXKKDRITK
SCHEMBL3827871 0.77 NTRK1 (0.38) NTRK1JAK3BTKKDRITK
SCHEMBL2066442 0.75 NTRK1 (0.50) NTRK1JAK3BTKTXKKDR
SCHEMBL3825541 0.74 NTRK1 (0.34) NTRK1JAK3BTKTXKITK
SCHEMBL2067762 0.73 NTRK1 (0.47) NTRK1JAK3BTKTXKKDR

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-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 — — EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — WO disclosed
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