SCHEMBL17035604

SCHEMBL17035604

COc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OC.[H-].[Na+]

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.64
FGFR2 P21802 1/20 0.58
PDGFRA P16234 2/20 0.56
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.53
MET P08581 2/20 0.52
KDR P35968 2/20 0.52
MST1R Q04912 1/20 0.52
SRC P12931 1/20 0.50
TGFBR1 P36897 1/20 0.50
TRPA1 O75762 1/20 0.49

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
SCHEMBL166914 0.97 AXL (0.67) AXLFGFR2PDGFRAPDGFRBKIT
Hydrochloric Acid SCHEMBL21776567 0.96 AXL (0.66) AXLFGFR2PDGFRAPDGFRBKIT
SCHEMBL17035605 0.96 AXL (0.66) AXLFGFR2PDGFRAPDGFRBKIT
Hydrochloric Acid SCHEMBL30388215 0.96 AXL (0.66) AXLFGFR2PDGFRAPDGFRBKIT
SCHEMBL23456877 0.90 AXL (0.59) AXLFGFR2PDGFRAPDGFRBKIT
SCHEMBL31554454 0.89 AXL (0.69) AXLFGFR2PDGFRAPDGFRBMET
SCHEMBL1591164 0.89 AXL (0.72) AXLFGFR2PDGFRAPDGFRBKIT
SCHEMBL14966993 0.89 AXL (0.69) AXLFGFR2PDGFRAPDGFRBMET
SCHEMBL16933075 0.89 AXL (0.59) AXLFGFR2METKDRMST1R
SCHEMBL14821391 0.88 AXL (0.57) AXLFGFR2PDGFRAPDGFRBKIT

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
US-9120778-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2015-09-01 US disclosed