SCHEMBL5049650

SCHEMBL5049650

Cc1ccsc1NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
PTPN2 P17706 1/20 0.44
PTPRB P23467 1/20 0.44
PTPN6 P29350 1/20 0.44
PTK2 Q05397 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
PPARG P37231 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
MAPK10 P53779 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPK8 P45983 1/20 0.40
ABCC1 P33527 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6857304 0.87 PTPN2 (0.48) PKMPTPN2PTPRBPTPN6PTK2
SCHEMBL12213152 0.85 PTK2 (0.59) PKMPTK2NPC1RAB9APPARG
SCHEMBL765316 0.83 SMN1; SMN2 (0.56) PKMPTK2NPC1RAB9APPARG
SCHEMBL11777129 0.83 GSK3B (0.43) PKMPTPN2PTPRBPTPN6PTK2
SCHEMBL7748143 0.81 MAPK10 (0.65) NPC1RAB9ASMN1; SMN2HPGDMAPK10
SCHEMBL8090363 0.80 MAPT (0.43) PKMNPC1RAB9AGSK3BHPGD
SCHEMBL1380571 0.79 TGM2 (0.49) PKMNPC1RAB9APPARGNCOR2
SCHEMBL6716911 0.78 PTK2 (0.35) PKMPTPN2PTPRBPTPN6PTK2
SCHEMBL14218016 0.77 PTPN1 (0.50) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2928945 0.77 CA12 (0.45) NPC1RAB9ASMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102633783-A Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA INC 2012-08-15 CN disclosed
CN-101379060-B Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC 2012-05-23 CN disclosed
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO disclosed
CN-1269793-A Pyrimidin-2-oxo-4-one and pyrimidin-2-oxo-4-thione derivatives NOVARTIS AG (CH) 2000-10-11 CN disclosed