SCHEMBL14684744

SCHEMBL14684744

Cc1nc(-c2cc(C3=CN3CC(=O)Nc3ccc(F)cc3)n(C)c2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.50
▸ NPC1 O15118 11/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ ALDH1A1 P00352 6/20 0.45
▸ GFER P55789 1/20 0.45
▸ LMNA P02545 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ STAT1 P42224 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL16403987 0.76 RAB9A (0.50) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL16403986 0.69 POLB (0.48) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL14315443 0.69 RAB9A (0.63) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL14325787 0.68 RAB9A (0.50) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL14315442 0.68 NPC1 (0.53) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL14315441 0.67 NPC1 (0.54) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL14317616 0.67 NPC1 (0.52) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL16403950 0.67 RAB9A (0.52) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL16403975 0.67 NPC1 (0.69) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL16403942 0.67 NPC1 (0.50) RAB9ANPC1MEN1KMT2AMAPK1

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-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 — — WO disclosed
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