SCHEMBL22423985

SCHEMBL22423985

CNC(=O)c1cc(Cl)c(-n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.36
▸ MAPK14 Q16539 1/20 0.33
▸ HPGD P15428 1/20 0.31
▸ PRLHR P49683 4/20 0.31
▸ PGR P06401 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL22424260 0.94 P2RX7 (0.36) P2RX7MAPK14HPGDPRLHR
SCHEMBL22424125 0.92 P2RX7 (0.36) P2RX7MAPK14PRLHRABL1
SCHEMBL25051697 0.92 P2RX7 (0.36) P2RX7MAPK14PRLHRABL1
SCHEMBL22424300 0.92 P2RX7 (0.36) P2RX7PRLHR
SCHEMBL22423986 0.89 MAPK14 (0.34) P2RX7MAPK14HPGD
SCHEMBL22423978 0.88 MAPK14 (0.34) P2RX7MAPK14HPGD
SCHEMBL22424624 0.88 P2RX7 (0.34) P2RX7MAPK14PRLHR
SCHEMBL22424133 0.87 P2RX7 (0.35) P2RX7
SCHEMBL22424129 0.87 P2RX7 (0.34) P2RX7PRLHR
SCHEMBL22424131 0.87 MAPK1 (0.34) P2RX7

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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