SCHEMBL13758992

SCHEMBL13758992

CCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.41
▸ KDR P35968 7/20 0.41
▸ AURKA O14965 4/20 0.41
▸ FLT1 P17948 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CHRNA3 P32297 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ ERCC1 P07992 1/20 0.36
▸ DNASE1 P24855 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 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
SCHEMBL14530047 0.86 FLT3 (0.41) FLT3KDRAURKAFLT1CHRNA3
SCHEMBL425341 0.85 FLT3 (0.43) FLT3KDRAURKAFLT1LMNA
SCHEMBL13758989 0.75 HTT (0.52) KDRLMNARAB9AHTR2A
SCHEMBL430653 0.71 FLT3 (0.44) FLT3KDRAURKAFLT1CHRNA3
SCHEMBL13759253 0.70 KDR (0.46) FLT3KDRAURKAFLT1
SCHEMBL13759248 0.69 MAPK14 (0.49) FLT3KDRAURKATSHRHTR2A
SCHEMBL13759001 0.69 KDR (0.49) FLT3KDRTSHRHTR2A
SCHEMBL13759251 0.69 MAPK14 (0.51) RAB9ATSHR
SCHEMBL13759252 0.68 POLB (0.51) TSHRHTR2A
SCHEMBL14530221 0.67 KMT2A (0.44) FLT3KDRLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 — — WO disclosed
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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