SCHEMBL20215339

SCHEMBL20215339

COc1cn(Cc2ccccc2C)c(-c2ccccc2Cl)nc1=O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.63

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
SCHEMBL20215325 0.86 P2RX7 (0.56) P2RX7
SCHEMBL20215324 0.84 P2RX7 (0.58) P2RX7
SCHEMBL20215277 0.83 P2RX7 (0.71) P2RX7
SCHEMBL20215328 0.83 P2RX7 (0.63) P2RX7
SCHEMBL20215322 0.83 P2RX7 (0.61) P2RX7
SCHEMBL20215331 0.81 P2RX7 (0.59) P2RX7
SCHEMBL20215323 0.81 P2RX7 (0.57) P2RX7
SCHEMBL20215279 0.80 P2RX7 (0.49) P2RX7
SCHEMBL20215327 0.79 P2RX7 (0.54) P2RX7
SCHEMBL20215344 0.79 P2RX7 (0.64) 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-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed
US-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed