SCHEMBL29645642

SCHEMBL29645642

COc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
THRB P10828 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
P2RX7 Q99572 2/20 0.39
MKNK2 Q9HBH9 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
ACP1 P24666 2/20 0.37
HSP90AB1 P08238 1/20 0.37
C1R P00736 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL29645588 0.89 MAPT (0.43) MAPTTHRBRXFP1SMN1; SMN2P2RX7
SCHEMBL29646039 0.89 C1R (0.40) MAPTTHRBRXFP1SMN1; SMN2TP53
SCHEMBL29645518 0.88 C1R (0.38) MAPTTHRBSMN1; SMN2TP53LMNA
SCHEMBL29645715 0.88 MAPT (0.39) MAPTTHRBTP53LMNAC1R
SCHEMBL29645580 0.88 P2RX7 (0.36) MAPTTHRBRXFP1SMN1; SMN2P2RX7
SCHEMBL29645893 0.88 MAPT (0.45) MAPTTHRBRXFP1SMN1; SMN2TP53
SCHEMBL29645459 0.88 C1R (0.43) MAPTTHRBRXFP1SMN1; SMN2TP53
SCHEMBL29645672 0.87 MAPT (0.46) MAPTTHRBRXFP1SMN1; SMN2P2RX7
SCHEMBL29645596 0.85 C1R (0.39) MAPTTHRBRXFP1SMN1; SMN2TP53
SCHEMBL29646060 0.84 TP53 (0.47) MAPTTHRBRXFP1SMN1; SMN2TP53

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