SCHEMBL17484170

SCHEMBL17484170

CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CN(Cc5ccccc5)C(=O)O)cc4)n[nH]3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.52
KDR P35968 6/20 0.52
AURKA O14965 5/20 0.52
FLT1 P17948 4/20 0.52
KIT P10721 2/20 0.49
MELK Q14680 1/20 0.49
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PRKD1 Q15139 1/20 0.47

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
SCHEMBL12077439 0.93 FLT3 (0.49) FLT3KDRAURKAFLT1MELK
SCHEMBL12077944 0.93 FLT3 (0.54) FLT3KDRAURKAFLT1KIT
SCHEMBL12077998 0.91 HDAC1 (0.55) FLT3KDRFLT1KITHDAC1
SCHEMBL12077467 0.90 FLT3 (0.50) FLT3KDRAURKAFLT1KIT
SCHEMBL12077710 0.90 FLT3 (0.50) FLT3KDRAURKAFLT1KIT
SCHEMBL12077320 0.89 FLT3 (0.53) FLT3KDRAURKAFLT1KDM1A
SCHEMBL12077927 0.87 KDM1A (0.64) FLT3KDRAURKAFLT1KDM1A
SCHEMBL12077119 0.86 FLT3 (0.52) FLT3KDRAURKAFLT1KIT
SCHEMBL12091918 0.85 FLT3 (0.52) FLT3KDRAURKAFLT1KDM1A
SCHEMBL12091914 0.85 NPC1 (0.67) FLT3KDRAURKAFLT1MELK

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-9255072-B2 Pyrazole compounds and thiazole compounds as protein kinases inhibitors National Health Rsearch Institutes (TW) 2016-02-09 US disclosed