SCHEMBL29645469

SCHEMBL29645469

O=c1nccccc1Nc1nc2c(C(F)(F)F)cccc2c2nc(-c3ccc(Cl)cc3OC(F)F)nn12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
TTK P33981 1/20 0.34
TNKS O95271 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
SCHEMBL31149876 0.92 P2RX7 (0.35) P2RX7SCN9ASCN5ATTK
SCHEMBL29645723 0.91 P2RX7 (0.36) P2RX7TNKS
SCHEMBL29645564 0.89 P2RX7 (0.37) P2RX7SCN9ATNKS
SCHEMBL29645931 0.86 MAPT (0.39) P2RX7
SCHEMBL29645914 0.84 NR1H2 (0.40) P2RX7
SCHEMBL31150091 0.83 P2RX7 (0.35) P2RX7
SCHEMBL29645960 0.81 P2RX7 (0.33) P2RX7TNKS
SCHEMBL22987643 0.81 HSD11B1 (0.35) SCN9A
SCHEMBL29646221 0.79 CYP1A2 (0.35) P2RX7
SCHEMBL29645715 0.79 MAPT (0.39)

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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed