SCHEMBL30168164

SCHEMBL30168164

CC(=O)Nc1ccc(Nc2nccn3c(-c4ccc(F)cc4)cnc23)cc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.52
▸ IDO1 P14902 5/20 0.47
▸ TTK P33981 8/20 0.46
▸ MAPKAPK5 Q8IW41 2/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ AURKA O14965 1/20 0.41

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
SCHEMBL24105240 1.00 FYN (0.52) FYNIDO1TTKMAPKAPK5PSEN1
SCHEMBL24105258 0.91 MAPKAPK5 (0.46) FYNIDO1TTKMAPKAPK5TNIK
SCHEMBL30372085 0.91 MAPKAPK5 (0.46) FYNIDO1TTKMAPKAPK5TNIK
SCHEMBL30168183 0.91 TTK (0.46) FYNTTKMAPKAPK5PTK6AURKA
SCHEMBL24104803 0.91 TTK (0.46) FYNTTKMAPKAPK5PTK6AURKA
SCHEMBL24104678 0.89 TTK (0.44) FYNTTKMAPKAPK5TNIKPTK6
SCHEMBL30168196 0.89 TTK (0.44) FYNTTKMAPKAPK5TNIKPTK6
SCHEMBL24105262 0.88 PTK6 (0.45) FYNIDO1TTKMAPKAPK5TNIK
SCHEMBL24105034 0.88 IDO1 (0.42) FYNIDO1TTKMAPKAPK5
SCHEMBL30168168 0.88 IDO1 (0.42) FYNIDO1TTKMAPKAPK5

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
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