SCHEMBL3850388

SCHEMBL3850388

CSc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
STS P08842 9/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL226425 0.83 STS (0.54) GPR119PTPN2PTPN1PTPN6STS
SCHEMBL228056 0.83 PTPN2 (0.51) GPR119PTPN2PTPN1PTPN6STS
SCHEMBL3852536 0.79 EED (0.49) GPR119PTPN2PTPN1PTPN6NPC1
SCHEMBL226265 0.78 ALDH1A1 (0.54) GPR119PTPN2PTPN1PTPN6STS
SCHEMBL6207559 0.77 PTPN2 (0.46) GPR119PTPN2PTPN1PTPN6STS
SCHEMBL4242803 0.77 GPR119 (0.65) GPR119PTPN2PTPN1PTPN6STS
SCHEMBL441012 0.73 KDM4E (0.62) GPR119PTPN2PTPN1PTPN6STS
SCHEMBL17007796 0.72 GPR119 (0.56) GPR119PTPN2PTPN1PTPN6STS
SCHEMBL22115702 0.72 PTPN2 (0.53) PTPN2PTPN1PTPN6STSKMT2A
SCHEMBL14113587 0.72 KMT2A (0.71) GPR119PTPN2PTPN1PTPN6STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed