SCHEMBL3825541

SCHEMBL3825541

NC(=O)c1nccc(Sc2cnc(Nc3ccc(NC4CCNCC4)cn3)s2)c1CC(CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.34
▸ PLK4 O00444 1/20 0.32
▸ JAK3 P52333 4/20 0.32
▸ BTK Q06187 3/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ TXK P42681 1/20 0.31
▸ ITK Q08881 3/20 0.31
▸ CDK2 P24941 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CDK6 Q00534 1/20 0.30

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
SCHEMBL2066820 0.79 NTRK1 (0.41) NTRK1ITK
SCHEMBL3827871 0.71 NTRK1 (0.38) NTRK1JAK3BTKITK
SCHEMBL3832197 0.70 NTRK1 (0.45) NTRK1JAK3BTKTXK
SCHEMBL2066392 0.70 NTRK1 (0.41) NTRK1ITK
SCHEMBL14144927 0.69 NTRK1 (0.40) NTRK1ITKCDK2
SCHEMBL2067753 0.69 JAK3 (0.34) NTRK1JAK3BTKTXKITK
SCHEMBL2065567 0.68 NTRK1 (0.41) NTRK1ITKCDK2
SCHEMBL3832186 0.68 NTRK1 (0.47) NTRK1JAK3BTKTXKITK
SCHEMBL3827914 0.68 NTRK1 (0.51) NTRK1JAK3BTKTXKITK
SCHEMBL2066184 0.67 NTRK1 (0.41) NTRK1ITK

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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