SCHEMBL14537541

SCHEMBL14537541

CCN1C(=O)c2nc(-c3ccc(-c4ccc(F)cc4)nc3)n(Cc3ccc(F)c(OC)c3F)c2N2C[C@@](C)(C(C)C)N=C12

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 20/20 0.62

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
SCHEMBL12795739 0.92 P2RX7 (0.73) P2RX7
SCHEMBL14225237 0.85 P2RX7 (0.70) P2RX7
SCHEMBL12795681 0.80 P2RX7 (0.68) P2RX7
SCHEMBL13985055 0.78 P2RX7 (0.82) P2RX7
SCHEMBL14225217 0.78 P2RX7 (0.81) P2RX7
SCHEMBL12795761 0.78 P2RX7 (0.88) P2RX7
SCHEMBL12795852 0.77 P2RX7 (1.00) P2RX7
SCHEMBL12795758 0.77 P2RX7 (0.72) P2RX7
SCHEMBL12795779 0.77 P2RX7 (0.79) P2RX7
SCHEMBL12795782 0.75 P2RX7 (0.76) 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
US-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 — — US disclosed
US-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 — — US disclosed
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