SCHEMBL6257230

SCHEMBL6257230

CC(Oc1cnccn1)c1cc(NC(=O)Nc2cc(-c3ccccc3)[nH]n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ MAPT P10636 4/20 0.41
▸ ROCK2 O75116 3/20 0.41
▸ ROCK1 Q13464 3/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.39
▸ AURKA O14965 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6079940 0.82 ROCK2 (0.46) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL6257221 0.81 ROCK2 (0.45) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL6207396 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL6240758 0.72 RAB9A (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6079580 0.67 KCNH2 (0.38) MEN1KMT2AROCK1KDRFLT3
SCHEMBL22828658 0.64 NPY5R (0.53) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL6080735 0.62 BLM (0.55) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL6206171 0.62 ELOVL1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6564725 0.61 RAB9A (1.00) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL6079119 0.61 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTROCK2

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-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 — — WO disclosed
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