SCHEMBL7002646

SCHEMBL7002646

CC(=O)c1cc(C)c(C(=O)N2CCNCC2)cc1Sc1cnc(Nc2ccccn2)s1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.76
JAK3 P52333 7/20 0.68
BTK Q06187 5/20 0.68
TXK P42681 2/20 0.65
ITK Q08881 2/20 0.58
CDK2 P24941 1/20 0.50

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 0.88 NTRK1 (0.66) NTRK1JAK3BTKTXKITK
SCHEMBL20161915 0.85 JAK3 (0.80) NTRK1JAK3BTKTXKITK
SCHEMBL20161501 0.81 JAK3 (1.00) NTRK1JAK3BTKTXKITK
SCHEMBL20161871 0.79 JAK3 (1.00) NTRK1JAK3BTKTXKITK
SCHEMBL5655992 0.79 NTRK1 (1.00) NTRK1JAK3BTKITKCDK2
SCHEMBL14460950 0.78 NTRK1 (0.88) NTRK1JAK3BTKITKCDK2
SCHEMBL5658075 0.78 NTRK1 (0.75) NTRK1JAK3BTKTXKITK
SCHEMBL14460947 0.78 NTRK1 (0.87) NTRK1JAK3BTKITKCDK2
SCHEMBL7005166 0.77 NTRK1 (0.64) NTRK1ITKCDK2
SCHEMBL5657610 0.77 NTRK1 (0.84) NTRK1JAK3BTKTXKITK

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