SCHEMBL22424585

SCHEMBL22424585

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 11/20 0.52
▸ GRM5 P41594 2/20 0.45
▸ PRLHR P49683 4/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PDE9A O76083 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
SCHEMBL22424333 0.93 CLPP (0.54) CLPPGRM5PRLHRHDAC6PDE9A
SCHEMBL22424550 0.91 CLPP (0.53) CLPPGRM5PRLHRPARP1HDAC6
SCHEMBL22423946 0.91 CLPP (0.50) CLPPGRM5PRLHRPARP1PDE9A
SCHEMBL22424574 0.89 CLPP (0.51) CLPPGRM5PRLHRPARP1HDAC6
SCHEMBL22424217 0.89 CLPP (0.52) CLPPGRM5PRLHRHDAC6PDE9A
SCHEMBL22424384 0.88 CLPP (0.51) CLPPGRM5PRLHRPARP1HDAC6
SCHEMBL22424581 0.86 CLPP (0.52) CLPPGRM5PRLHRPARP1PDE9A
SCHEMBL22424586 0.85 CLPP (0.51) CLPPGRM5PRLHRPARP1PDE9A
SCHEMBL22424577 0.84 CLPP (0.50) CLPPGRM5PRLHRPARP1PDE9A
SCHEMBL22424698 0.84 CLPP (0.49) CLPPGRM5PRLHRPARP1PDE9A

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
Send feedback