SCHEMBL22423976

SCHEMBL22423976

CC(C)Nc1nc2c(c(=O)n1-c1ccc(Br)cc1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 16/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL22410812 0.93 P2RX7 (0.37) P2RX7ABL1TRPV4
SCHEMBL22410811 0.93 P2RX7 (0.37) P2RX7ABL1TRPV4
SCHEMBL22424211 0.92 P2RX7 (0.36) P2RX7ABL1TRPV4
SCHEMBL25051697 0.91 P2RX7 (0.36) P2RX7ABL1TRPV4
SCHEMBL22423962 0.91 P2RX7 (0.36) P2RX7ABL1TRPV4
SCHEMBL22424125 0.91 P2RX7 (0.36) P2RX7ABL1TRPV4
SCHEMBL22424304 0.91 P2RX7 (0.36) P2RX7ABL1
SCHEMBL22424236 0.90 P2RX7 (0.35) P2RX7ABL1TRPV4
SCHEMBL22424579 0.90 P2RX7 (0.35) P2RX7ABL1LMNATRPV4
SCHEMBL22424588 0.90 P2RX7 (0.35) P2RX7ABL1LMNATRPV4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113710667-A Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases 爱尔兰詹森科学公司 2021-11-26 — — CN disclosed
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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