SCHEMBL14684730

SCHEMBL14684730

Cc1nc(-c2cc(C(=O)N(C)CCOc3ccc(F)cc3)n(C)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 2/20 0.43
▸ ATP4B P51164 2/20 0.43
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GRM1 Q13255 1/20 0.35

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
SCHEMBL14224958 0.81 ALDH1A1 (0.43) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL16403987 0.80 RAB9A (0.50) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL14224974 0.79 ALDH1A1 (0.39) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL14224988 0.79 RAB9A (0.41) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL16403954 0.77 HDAC1 (0.35) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL16404071 0.77 RAB9A (0.40) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL16403920 0.77 ALDH1A1 (0.38) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL16404150 0.76 RAB9A (0.42) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL16403981 0.76 RAB9A (0.43) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL14684792 0.75 KMT2A (0.41) KMT2AMEN1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 — — WO disclosed
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