SCHEMBL7002877

SCHEMBL7002877

CC(=O)c1ccc(C(=O)N2CCNCC2)cc1Sc1cnc(Nc2ccc(Br)c(C)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.49
CDK2 P24941 4/20 0.46
ITK Q08881 6/20 0.45
MET P08581 2/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
IGF1R P08069 2/20 0.42

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
SCHEMBL7005166 0.88 NTRK1 (0.64) NTRK1CDK2ITKMETIGF1R
SCHEMBL7005771 0.86 NTRK1 (0.51) NTRK1CDK2ITKJAK3BTK
SCHEMBL7008526 0.82 NTRK1 (0.50) NTRK1CDK2ITKJAK3BTK
SCHEMBL7005357 0.80 NTRK1 (0.66) NTRK1CDK2ITKMETJAK3
SCHEMBL5656219 0.78 NTRK1 (0.80) NTRK1CDK2ITKMET
SCHEMBL7002646 0.75 NTRK1 (0.76) NTRK1CDK2ITKJAK3BTK
SCHEMBL5658075 0.68 NTRK1 (0.75) NTRK1ITKJAK3BTK
SCHEMBL5658306 0.66 NTRK1 (1.00) NTRK1CDK2ITKMETIGF1R
SCHEMBL20161915 0.66 JAK3 (0.80) NTRK1ITKJAK3BTK
SCHEMBL14461056 0.66 ITK (0.84) NTRK1ITKJAK3BTK

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