SCHEMBL7654637

SCHEMBL7654637

NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 3/20 0.47
PDPK1 O15530 2/20 0.47
JAK3 P52333 1/20 0.47
CA4 P22748 2/20 0.46
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 6/20 0.46
AKT2 P31751 1/20 0.44
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 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
SCHEMBL12856336 1.00 TLK2 (0.47) TLK2PDPK1JAK3CA4CA1
SCHEMBL5182747 0.88 AURKA (0.53) PDPK1CA4CA1CA2CA9
SCHEMBL12856526 0.88 AURKA (0.53) PDPK1CA4CA1CA2CA9
SCHEMBL5182752 0.88 AURKA (0.53) PDPK1CA4CA1CA2CA9
SCHEMBL5894173 0.85 KMT2A (0.52) PDPK1CA1CA2CA9CA12
SCHEMBL12856367 0.85 CDK1 (0.43) PDPK1CA1CA2CA9CA12
SCHEMBL5894167 0.85 KMT2A (0.52) PDPK1CA1CA2CA9CA12
SCHEMBL4995638 0.84 CA1 (0.57) PDPK1CA4CA1CA2CA9
SCHEMBL4995647 0.84 CA1 (0.57) PDPK1CA4CA1CA2CA9
SCHEMBL4994822 0.83 CA1 (0.56) PDPK1CA1CA2CA9CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387919-B1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors GLAXO WELLCOME INC. 2002-05-14 US disclosed
EP-1009738-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-21 EP disclosed
WO-1999015500-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-04-01 WO disclosed