SCHEMBL29645580

SCHEMBL29645580

COc1ccc(-c2nc3c4cccc(Br)c4nc(Nc4ccccnc4=O)n3n2)c(OC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.36
MKNK2 Q9HBH9 3/20 0.36
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MKNK1 Q9BUB5 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29645433 0.90 P2RX7 (0.33) P2RX7THRBRXFP1ALDH1A1MAPT
SCHEMBL29645960 0.89 P2RX7 (0.33) P2RX7MAPTGAA
SCHEMBL29645431 0.89 SLC40A1 (0.35) P2RX7NPC1POLB
SCHEMBL29645642 0.88 MAPT (0.43) P2RX7MKNK2THRBRXFP1MAPT
SCHEMBL29646008 0.84 KDM4E (0.47) THRBRXFP1ALDH1A1MAPTKDM4E
SCHEMBL29645723 0.81 P2RX7 (0.36) P2RX7GAA
SCHEMBL29645518 0.80 C1R (0.38) THRBMAPTPOLBSMN1; SMN2
SCHEMBL22987612 0.80 ENPP3 (0.39) MKNK2THRBRXFP1ALDH1A1MAPT
SCHEMBL29645564 0.79 P2RX7 (0.37) P2RX7
SCHEMBL22979251 0.78 KDM4E (0.36) THRBRXFP1ALDH1A1MAPTNPC1

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
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
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