SCHEMBL22424384

SCHEMBL22424384

COc1ccc(CNc2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccc(C#N)c(Cl)c2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 10/20 0.51
▸ GRM5 P41594 2/20 0.47
▸ PRLHR P49683 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GRM1 Q13255 1/20 0.40
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL22424574 0.94 CLPP (0.51) CLPPGRM5PRLHRHDAC6GRM1
SCHEMBL22424333 0.91 CLPP (0.54) CLPPGRM5PRLHRHDAC6PDE9A
SCHEMBL22424577 0.91 CLPP (0.50) CLPPGRM5PRLHRGRM1TNKS
SCHEMBL22424217 0.89 CLPP (0.52) CLPPGRM5PRLHRHDAC6PDE9A
SCHEMBL22424550 0.88 CLPP (0.53) CLPPGRM5PRLHRHDAC6TNKS
SCHEMBL22424585 0.88 CLPP (0.52) CLPPGRM5PRLHRHDAC6PARP1
SCHEMBL22424581 0.85 CLPP (0.52) CLPPGRM5PRLHRTNKSTNKS2
SCHEMBL22424586 0.84 CLPP (0.51) CLPPGRM5PRLHRTNKSTNKS2
SCHEMBL22423946 0.83 CLPP (0.50) CLPPGRM5PRLHRPARP1PDE9A
SCHEMBL22424698 0.82 CLPP (0.49) CLPPGRM5PRLHRTNKSTNKS2

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-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO disclosed
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