SCHEMBL22410638

SCHEMBL22410638

CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 20/20 0.51

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
SCHEMBL22410614 0.80 P2RX7 (0.52) P2RX7
SCHEMBL22410771 0.79 P2RX7 (0.40) P2RX7
SCHEMBL22410657 0.76 PRLHR (0.43) P2RX7
SCHEMBL22410618 0.74 SPR (0.45) —
SCHEMBL22410699 0.74 HPGD (0.49) —
SCHEMBL22410888 0.74 PARP1 (0.40) P2RX7
SCHEMBL22410887 0.74 P2RX7 (0.36) P2RX7
SCHEMBL22410911 0.74 MTHFD2 (0.37) P2RX7
SCHEMBL22410634 0.73 HSP90AA1 (0.37) —
SCHEMBL13249882 0.72 P2RX7 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 — — EP claimed
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 claimed
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