SCHEMBL13495446

SCHEMBL13495446

C=C1NCCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2ccc(C)c(-c3ccc(OCCCN4CCOCC4)nc3)c2)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
MAPK14 Q16539 8/20 0.41
EPHX2 P34913 5/20 0.38
RET P07949 2/20 0.37

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
SCHEMBL3198328 0.94 FLT3 (0.41) FLT3HTR2AHTR2CMAPK14EPHX2
SCHEMBL13495549 0.91 MAPK14 (0.42) FLT3MAPK14EPHX2
SCHEMBL3200481 0.91 MAPK14 (0.41) FLT3HTR2AHTR2CMAPK14RET
SCHEMBL3213052 0.88 MAPK14 (0.42) FLT3MAPK14
SCHEMBL3209349 0.86 MAPK14 (0.43) FLT3HTR2AHTR2CMAPK14RET
SCHEMBL3198158 0.85 MAPK14 (0.43) FLT3MAPK14EPHX2
SCHEMBL3218578 0.85 MAPK14 (0.42) FLT3HTR2AHTR2CMAPK14
SCHEMBL3208082 0.85 MAPK14 (0.42) FLT3HTR2AHTR2CMAPK14
SCHEMBL3206182 0.84 MAPK14 (0.45) HTR2AHTR2CMAPK14RET
SCHEMBL3212687 0.83 MAPK14 (0.43) MAPK14RET

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-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed