SCHEMBL7005166

SCHEMBL7005166

CC(=O)c1ccc(C(=O)N2CCNCC2)cc1Sc1cnc(Nc2cccc(Br)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.64
ITK Q08881 7/20 0.58
CDK2 P24941 4/20 0.58
MET P08581 2/20 0.54
IGF1R P08069 2/20 0.53

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
SCHEMBL7005357 0.90 NTRK1 (0.66) NTRK1ITKCDK2METIGF1R
SCHEMBL7002877 0.88 NTRK1 (0.49) NTRK1ITKCDK2METIGF1R
SCHEMBL7008526 0.88 NTRK1 (0.50) NTRK1ITKCDK2
SCHEMBL7005771 0.87 NTRK1 (0.51) NTRK1ITKCDK2
SCHEMBL5658306 0.78 NTRK1 (1.00) NTRK1ITKCDK2METIGF1R
SCHEMBL7002646 0.77 NTRK1 (0.76) NTRK1ITKCDK2
SCHEMBL7005843 0.74 NTRK1 (0.56) NTRK1ITKCDK2METIGF1R
SCHEMBL7005839 0.74 NTRK1 (0.56) NTRK1ITKCDK2METIGF1R
SCHEMBL14460999 0.74 ITK (1.00) NTRK1ITKCDK2METIGF1R
SCHEMBL5659180 0.74 NTRK1 (1.00) NTRK1ITKCDK2METIGF1R

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-1347971-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES Bristol-Myers Squibb Company (US) 2003-10-01 EP disclosed
WO-2002050071-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-27 WO disclosed