SCHEMBL24104669

SCHEMBL24104669

COc1ccc(-c2cnc3c(Nc4ccc(NC=O)c(C)c4)nccn23)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 5/20 0.43
▸ PTK6 Q13882 1/20 0.43
▸ MC4R P32245 1/20 0.40
▸ PIP4K2A P48426 7/20 0.38
▸ AURKA O14965 2/20 0.38
▸ FYN P06241 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL30371857 0.87 PTK6 (0.46) PTK6MC4RFYNTTK
SCHEMBL25447277 0.87 PTK6 (0.46) PTK6MC4RFYNTTK
SCHEMBL24105239 0.87 SRC (0.41) PAX8PTK6AURKAFYNAURKB
SCHEMBL22142987 0.84 PTK6 (0.44) PAX8PTK6PIP4K2AAURKAFYN
SCHEMBL24105229 0.83 PTK6 (0.49) PTK6MC4RFYNTTKGRM4
SCHEMBL30168157 0.83 PTK6 (0.49) PTK6MC4RFYNTTKGRM4
SCHEMBL22122923 0.82 PTK6 (0.49) PTK6AURKBTTK
SCHEMBL30171768 0.82 PTK6 (0.49) PTK6AURKBTTK
SCHEMBL24105217 0.82 PTK6 (0.45) PTK6PIP4K2AAURKAFYNAURKB
SCHEMBL30168173 0.82 PTK6 (0.45) PTK6PIP4K2AAURKAFYNAURKB

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
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
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