SCHEMBL22424586

SCHEMBL22424586

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 4/20 0.51
▸ TNKS O95271 3/20 0.43
▸ TNKS2 Q9H2K2 3/20 0.43
▸ PARP1 P09874 3/20 0.43
▸ PARP2 Q9UGN5 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ PDE9A O76083 2/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PRLHR P49683 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ 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 0.94 CLPP (0.52) CLPPTNKSTNKS2PARP1PARP2
SCHEMBL22424217 0.91 CLPP (0.52) CLPPHPGDGRM5PDE9APRLHR
SCHEMBL22423946 0.91 CLPP (0.50) CLPPPARP1HPGDGRM5PDE9A
SCHEMBL22424550 0.91 CLPP (0.53) CLPPTNKSTNKS2PARP1PARP2
SCHEMBL22424577 0.88 CLPP (0.50) CLPPTNKSTNKS2PARP1PARP2
SCHEMBL22424333 0.87 CLPP (0.54) CLPPHPGDGRM5PDE9APRLHR
SCHEMBL22424585 0.85 CLPP (0.52) CLPPPARP1GRM5PDE9APRLHR
SCHEMBL22424698 0.84 CLPP (0.49) CLPPTNKSTNKS2PARP1PARP2
SCHEMBL22424574 0.84 CLPP (0.51) CLPPTNKSTNKS2PARP1PARP2
SCHEMBL22424384 0.84 CLPP (0.51) CLPPTNKSTNKS2PARP1PARP2

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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