SCHEMBL30168210

SCHEMBL30168210

COc1ccc(-c2cnc3c(Nc4ccc(NC(C)=O)c(C)c4)nccn23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.45
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ KDR P35968 9/20 0.41
▸ EGFR P00533 6/20 0.41
▸ SYK P43405 2/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ TTK P33981 3/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL24105258 0.91 MAPKAPK5 (0.46) FYNMAPKAPK5PTK6TTK
SCHEMBL30372085 0.91 MAPKAPK5 (0.46) FYNMAPKAPK5PTK6TTK
SCHEMBL30371857 0.90 PTK6 (0.46) FYNKDREGFRSYKPTK6
SCHEMBL25447277 0.90 PTK6 (0.46) FYNKDREGFRSYKPTK6
SCHEMBL30168163 0.90 MAPKAPK5 (0.49) FYNMAPKAPK5KDREGFRSYK
SCHEMBL24105219 0.90 MAPKAPK5 (0.49) FYNMAPKAPK5KDREGFRSYK
SCHEMBL24105262 0.88 PTK6 (0.45) FYNMAPKAPK5EGFRPTK6TTK
SCHEMBL24104678 0.87 TTK (0.44) FYNMAPKAPK5KDREGFRPTK6
SCHEMBL30168196 0.87 TTK (0.44) FYNMAPKAPK5KDREGFRPTK6
SCHEMBL24105240 0.87 FYN (0.52) FYNMAPKAPK5PTK6TTKPSEN1

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
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
Send feedback