SCHEMBL3826242

SCHEMBL3826242

CCCC(O)(Cc1c(Sc2cnc(Nc3ccccn3)s2)ccnc1C(N)=O)c1cccc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 15/20 0.46
▸ JAK3 P52333 3/20 0.39
▸ BTK Q06187 2/20 0.39
▸ KDR P35968 2/20 0.38
▸ ITK Q08881 1/20 0.38
▸ TXK P42681 1/20 0.38

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
SCHEMBL3832186 0.93 NTRK1 (0.47) NTRK1JAK3BTKKDRITK
SCHEMBL2066653 0.83 NTRK1 (0.42) NTRK1JAK3BTKKDRITK
SCHEMBL3825428 0.80 NTRK1 (0.49) NTRK1JAK3BTKKDRITK
SCHEMBL3827871 0.77 NTRK1 (0.38) NTRK1JAK3BTKKDRITK
SCHEMBL3827914 0.74 NTRK1 (0.51) NTRK1JAK3BTKKDRITK
SCHEMBL3832197 0.74 NTRK1 (0.45) NTRK1JAK3BTKKDRTXK
SCHEMBL2066201 0.72 NTRK1 (0.43) NTRK1JAK3BTKKDRITK
SCHEMBL2066843 0.72 NTRK1 (0.43) NTRK1JAK3BTKKDRITK
SCHEMBL2066204 0.72 NTRK1 (0.43) NTRK1JAK3BTKKDRITK
SCHEMBL2065674 0.69 NTRK1 (0.54) NTRK1JAK3BTKKDRITK

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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