SCHEMBL7005771

SCHEMBL7005771

CC(=O)c1ccc(C(=O)N2CCNCC2)cc1Sc1cnc(Nc2ccc3ccccc3n2)s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.51
ITK Q08881 9/20 0.47
JAK3 P52333 2/20 0.44
BTK Q06187 2/20 0.44
CDK2 P24941 1/20 0.43
TXK P42681 1/20 0.43

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 0.87 NTRK1 (0.64) NTRK1ITKCDK2
SCHEMBL7002877 0.86 NTRK1 (0.49) NTRK1ITKJAK3BTKCDK2
SCHEMBL7008526 0.84 NTRK1 (0.50) NTRK1ITKJAK3BTKCDK2
SCHEMBL5658099 0.78 NTRK1 (0.77) NTRK1ITKCDK2
SCHEMBL7002646 0.77 NTRK1 (0.76) NTRK1ITKJAK3BTKCDK2
SCHEMBL7005357 0.77 NTRK1 (0.66) NTRK1ITKJAK3BTKCDK2
SCHEMBL5658075 0.69 NTRK1 (0.75) NTRK1ITKJAK3BTKTXK
SCHEMBL20161915 0.68 JAK3 (0.80) NTRK1ITKJAK3BTKTXK
SCHEMBL5657008 0.65 NTRK1 (1.00) NTRK1ITKCDK2
SCHEMBL5658306 0.65 NTRK1 (1.00) NTRK1ITKCDK2

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