SCHEMBL29646404

SCHEMBL29646404

Fc1cccc(-c2nc3c4cccc(F)c4nc(Cl)n3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 3/20 0.40
AMY1A P0DUB6 1/20 0.40
CSNK1D P48730 1/20 0.39
PDE10A Q9Y233 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL22980130 1.00 RXFP1 (0.44) RXFP1MAPTLMNATHRBKDM4E
SCHEMBL22988148 0.90 MAPT (0.41) RXFP1MAPTLMNAKDM4EALDH1A1
SCHEMBL22987904 0.88 AMY1A (0.43) RXFP1MAPTLMNAKDM4EALDH1A1
SCHEMBL22988024 0.87 TP53 (0.46) MAPTTP53PDE10AXDH
SCHEMBL22987505 0.86 NR1H2 (0.41) RXFP1MAPTLMNAKDM4EALDH1A1
SCHEMBL22979532 0.84 ADORA3 (0.53) RXFP1MAPTTHRBTP53
SCHEMBL29646353 0.84 ADORA3 (0.53) RXFP1MAPTTHRBTP53
SCHEMBL22987536 0.81 AMY1A (0.44) RXFP1MAPTLMNAKDM4EALDH1A1
SCHEMBL22987462 0.80 KDM4E (0.50) MAPTTHRBKDM4EALDH1A1TP53
SCHEMBL22987463 0.79 ADORA3 (0.39) THRBTP53PDE10A

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 disclosed
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 disclosed