SCHEMBL10180469

SCHEMBL10180469

CSc1nc(N)nc(NC(=O)[C@H](C)N(C)c2cccc(OC(F)(F)F)c2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ADORA1 P30542 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL965134 0.88 ADORA1 (0.38) ADORA1ADORA2AHDAC8
SCHEMBL10180924 0.85 MAPK8 (0.42) ADORA1ADORA2A
SCHEMBL10181000 0.85 MEN1 (0.42) MEN1KMT2ALMNAHPGDPKM
SCHEMBL10180124 0.84 MEN1 (0.46) MEN1KMT2ALMNAHPGDPKM
SCHEMBL10180187 0.81 PIK3CD (0.36) MEN1KMT2ALMNAHPGDPKM
SCHEMBL10180785 0.76 PIK3CD (0.37) LMNASMN1; SMN2MAPTRXFP1CYP1A2
SCHEMBL10180844 0.74 MAPK8 (0.43) ALDH1A1
SCHEMBL12947032 0.73 ALDH1A1 (0.35) MEN1KMT2ALMNAHPGDPKM
SCHEMBL10181273 0.73 PIK3CD (0.37) RXFP1ADORA1ALDH1A1
SCHEMBL12946855 0.73 NPC1 (0.40) LMNAHPGDMAPTADORA1ALDH1A1

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
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