SCHEMBL5504631

SCHEMBL5504631

COc1ccc(Nc2ncc(-c3ccsc3)cn2)cc1.Fc1ncc(-c2ccsc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
SYK P43405 1/20 0.49
PDGFRB P09619 3/20 0.47
PDGFRA P16234 3/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP2A6 P11509 2/20 0.45
KDR P35968 2/20 0.45
GAA P10253 1/20 0.43
CTSC P53634 2/20 0.43
NPC1 O15118 3/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP2E1 P05181 1/20 0.41
CYP2B6 P20813 1/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL5495854 0.94 PDGFRB (0.52) AURKASYKPDGFRBPDGFRAHDAC3
SCHEMBL10971409 0.78 HDAC3 (0.59) AURKASYKHDAC3HDAC1HDAC2
SCHEMBL5495932 0.77 RAB9A (0.54) PDGFRBPDGFRAGAANPC1RAB9A
SCHEMBL5499638 0.76 CYP2A6 (0.66) PDGFRBPDGFRACYP2A6KDRCYP2E1
SCHEMBL5496551 0.76 CTSC (0.44) AURKASYKCYP2A6CTSCCYP2E1
SCHEMBL5502963 0.76 CTSC (0.59) SYKPDGFRBPDGFRACYP2A6CTSC
SCHEMBL5502604 0.75 SYK (0.54) AURKASYKMAPTMAPK1
SCHEMBL5499768 0.75 MAPT (0.44) AURKASYKPDGFRBPDGFRACYP2A6
SCHEMBL13605374 0.74 CDK4 (0.51) KDR
SCHEMBL7474268 0.73 PIK3CA (0.65) SYKKDRNPC1RAB9ACDK5

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-1753750-A1 THIOPHENE HETEROARYL AMINES Sugen, Inc. (US) 2007-02-21 EP disclosed
WO-2005113548-A1 THIOPHENE HETEROARYL AMINES SUGEN, INC. (US) 2005-12-01 WO disclosed