SCHEMBL22424129

SCHEMBL22424129

CNC(=O)c1cc(-n2c(NC(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)n(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.34
▸ PRLHR P49683 4/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL22424624 0.93 P2RX7 (0.34) P2RX7PRLHRTAS1R3TAS1R2MAPK1
SCHEMBL22424309 0.91 P2RX7 (0.34) P2RX7PRLHR
SCHEMBL25051697 0.87 P2RX7 (0.36) P2RX7PRLHR
SCHEMBL22424125 0.87 P2RX7 (0.36) P2RX7PRLHR
SCHEMBL22423985 0.87 P2RX7 (0.36) P2RX7PRLHR
SCHEMBL22424131 0.87 MAPK1 (0.34) P2RX7TAS1R3TAS1R2MAPK1
SCHEMBL22424128 0.87 PARP1 (0.35) P2RX7
SCHEMBL22424514 0.86 P2RX7 (0.36) P2RX7
SCHEMBL22423980 0.86 P2RX7 (0.33) P2RX7
SCHEMBL22424378 0.85 P2RX7 (0.32) 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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