SCHEMBL22423965

SCHEMBL22423965

CC(C)Nc1nc2c(c(=O)n1C)C[C@@H](C)N(C(=O)c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.40
▸ HPGD P15428 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ TACR2 P21452 2/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ TACR3 P29371 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PRLHR P49683 1/20 0.34

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
SCHEMBL24275973 0.90 P2RX7 (0.39) P2RX7PGRPRLHR
SCHEMBL22410812 0.86 P2RX7 (0.37) P2RX7ABL1PGR
SCHEMBL22410811 0.86 P2RX7 (0.37) P2RX7ABL1PGR
SCHEMBL22424211 0.85 P2RX7 (0.36) P2RX7ABL1
SCHEMBL22423976 0.85 P2RX7 (0.36) P2RX7ABL1
SCHEMBL22424125 0.85 P2RX7 (0.36) P2RX7ABL1PRLHR
SCHEMBL22423962 0.85 P2RX7 (0.36) P2RX7ABL1PGRTACR2TACR1
SCHEMBL25051697 0.85 P2RX7 (0.36) P2RX7ABL1PRLHR
SCHEMBL22423985 0.85 P2RX7 (0.36) P2RX7HPGDABL1PGRPRLHR
SCHEMBL22424304 0.85 P2RX7 (0.36) P2RX7ABL1PGRPRLHR

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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