SCHEMBL10181000

SCHEMBL10181000

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ LMNA P02545 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ PKM P14618 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALDH1A1 P00352 9/20 0.39
▸ MAPT P10636 8/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL10180692 0.85 MAPK8 (0.38) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10180469 0.85 MEN1 (0.41) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10180598 0.83 MAPK8 (0.45) MAPK8MAPK9
SCHEMBL12946841 0.82 MEN1 (0.48) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10181025 0.74 MEN1 (0.45) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL964955 0.74 MEN1 (0.48) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10180785 0.73 PIK3CD (0.37) LMNASMN1; SMN2MAPTKDM4ECYP1A2
SCHEMBL10181206 0.72 MEN1 (0.47) MEN1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL10181273 0.71 PIK3CD (0.37) ALDH1A1RXFP1MAPK8MAPK9
SCHEMBL965134 0.71 ADORA1 (0.38) HTTMAPK8MAPK9

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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