SCHEMBL14530047

SCHEMBL14530047

CCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2cc(-c3ccco3)[nH]n2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.41
▸ KDR P35968 7/20 0.41
▸ AURKA O14965 4/20 0.41
▸ FLT1 P17948 1/20 0.40
▸ CHRNA3 P32297 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ RET P07949 3/20 0.38
▸ IGF1R P08069 1/20 0.36

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
SCHEMBL13758992 0.86 FLT3 (0.41) FLT3KDRAURKAFLT1CHRNA3
SCHEMBL430653 0.85 FLT3 (0.44) FLT3KDRAURKAFLT1CHRNA3
SCHEMBL13758989 0.75 HTT (0.52) KDR
SCHEMBL425341 0.71 FLT3 (0.43) FLT3KDRAURKAFLT1CHRNA3
SCHEMBL13759253 0.70 KDR (0.46) FLT3KDRAURKAFLT1
SCHEMBL13759248 0.70 MAPK14 (0.49) FLT3KDRAURKARET
SCHEMBL13759001 0.70 KDR (0.49) FLT3KDR
SCHEMBL13759251 0.69 MAPK14 (0.51) —
SCHEMBL13759252 0.69 POLB (0.51) —
SCHEMBL3107363 0.67 KMT2A (0.41) KDRRET

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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