SCHEMBL22423946

SCHEMBL22423946

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 8/20 0.50
▸ PARP1 P09874 2/20 0.45
▸ GRM5 P41594 2/20 0.45
▸ PDE9A O76083 2/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ PRLHR P49683 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK10 P53779 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
SCHEMBL22424581 0.93 CLPP (0.52) CLPPPARP1GRM5PDE9APRLHR
SCHEMBL22424586 0.91 CLPP (0.51) CLPPPARP1GRM5PDE9AMGLL
SCHEMBL22424217 0.91 CLPP (0.52) CLPPGRM5PDE9APRLHRHPGD
SCHEMBL22424585 0.91 CLPP (0.52) CLPPPARP1GRM5PDE9APRLHR
SCHEMBL22424333 0.86 CLPP (0.54) CLPPGRM5PDE9APRLHRHPGD
SCHEMBL22424550 0.85 CLPP (0.53) CLPPPARP1GRM5PDE9APRLHR
SCHEMBL22424577 0.84 CLPP (0.50) CLPPPARP1GRM5PDE9APRLHR
SCHEMBL22424698 0.84 CLPP (0.49) CLPPPARP1GRM5PDE9APRLHR
SCHEMBL22424574 0.83 CLPP (0.51) CLPPPARP1GRM5PDE9APRLHR
SCHEMBL22424384 0.83 CLPP (0.51) CLPPPARP1GRM5PDE9APRLHR

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