SCHEMBL18166311

SCHEMBL18166311

CCc1nnnn1-c1cc(OC(=O)NCc2cnc(N)cn2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.49
P2RX2 Q9UBL9 5/20 0.49
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
PTK2 Q05397 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
SCHEMBL18166444 0.92 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL18166323 0.89 P2RX3 (0.47) P2RX3P2RX2MAPTLMNAPTK2
SCHEMBL18166398 0.87 P2RX3 (0.57) P2RX3P2RX2MAPTLMNA
SCHEMBL18166401 0.86 P2RX3 (0.43) P2RX3P2RX2MAPT
SCHEMBL18166272 0.85 P2RX3 (0.47) P2RX3P2RX2MAPTLMNA
SCHEMBL18166378 0.85 P2RX3 (0.48) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166433 0.84 P2RX3 (0.49) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166437 0.84 P2RX3 (0.45) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166379 0.84 P2RX3 (0.46) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166414 0.83 P2RX3 (0.48) P2RX3P2RX2MAPTLMNATP53

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed