SCHEMBL14530226

SCHEMBL14530226

CCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)N(C)c2ccc3c(c2)c(C)c(C)n3C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.38
▸ CASP7 P55210 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ QPCT Q16769 1/20 0.35
▸ SIGMAR1 Q99720 5/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL427614 0.86 TP53 (0.38) CASP7CASP6KMT2AQPCTSIGMAR1
SCHEMBL427421 0.70 GRM4 (0.47) KMT2ASIGMAR1ALDH1A1MAPTMAPK1
SCHEMBL13758989 0.69 HTT (0.52) ALDH1A1MAPTMAPK1GAASMN1; SMN2
SCHEMBL13759248 0.68 MAPK14 (0.49) SMN1; SMN2
SCHEMBL13759001 0.67 KDR (0.49) ALDH1A1
SCHEMBL14530047 0.66 FLT3 (0.41) —
SCHEMBL13759253 0.66 KDR (0.46) CRHR1MAPK1
SCHEMBL13758992 0.65 FLT3 (0.41) RAB9A
SCHEMBL13759251 0.65 MAPK14 (0.51) CRHR1KMT2AALDH1A1MAPTMEN1
SCHEMBL14412478 0.65 CRHR1 (0.44) CRHR1CASP7CASP6SIGMAR1ALDH1A1

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-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 — — WO disclosed
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