SCHEMBL4919720

SCHEMBL4919720

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(Oc2ccc(Nc3ccccn3)cc2)cc1

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
DPP8 Q6V1X1 13/20 0.59
DPP9 Q86TI2 13/20 0.59
DPP7 Q9UHL4 12/20 0.59
FAP Q12884 9/20 0.59

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
SCHEMBL4725996 0.91 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL4725994 0.91 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL8213072 0.79 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL8210445 0.79 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL4727350 0.79 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL4728888 0.78 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL4728883 0.78 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL8211298 0.78 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL8215211 0.78 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL4726747 0.77 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO claimed