SCHEMBL10180692

SCHEMBL10180692

COc1nc(N)nc(NC(=O)[C@H](C)N(C)c2cccc(Br)c2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.38
▸ MAPK9 P45984 4/20 0.38
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ EGFR P00533 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ SQOR Q9Y6N5 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL10180598 0.90 MAPK8 (0.45) MAPK8MAPK9PRKD3MAPK10
SCHEMBL10180785 0.87 PIK3CD (0.37) MAPK8MAPK9SMN1; SMN2KDM4ERXFP1
SCHEMBL10181000 0.85 MEN1 (0.42) MAPK8MAPK9SMN1; SMN2ALDH1A1GAA
SCHEMBL12946909 0.82 ALDH1A1 (0.41) MAPK8MAPK9EGFRSMN1; SMN2ALDH1A1
SCHEMBL10180844 0.78 MAPK8 (0.43) MAPK8MAPK9ALDH1A1PRKD3MAPK10
SCHEMBL10180545 0.76 MAPK8 (0.41) MAPK8MAPK9ALDH1A1PRKD3KDM4E
SCHEMBL10180924 0.76 MAPK8 (0.42) MAPK8MAPK9ADORA2AADORA1PRKD3
SCHEMBL13125779 0.74 MAPK8 (0.38) MAPK8MAPK9SMN1; SMN2ALDH1A1PRKD3
SCHEMBL12947079 0.73 MAPK8 (0.45) MAPK8MAPK9EGFRSMN1; SMN2ALDH1A1
SCHEMBL10180469 0.72 MEN1 (0.41) ADORA2AADORA1SMN1; SMN2ALDH1A1KDM4E

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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