SCHEMBL29646400

SCHEMBL29646400

FC(F)(F)Oc1ccccc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.42
ADORA3 P0DMS8 8/20 0.42
ADORA1 P30542 2/20 0.42
PDE10A Q9Y233 2/20 0.40
HPGD P15428 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
MAPT P10636 1/20 0.38
PDE2A O00408 1/20 0.37
MGLL Q99685 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL22979544 1.00 C1R (0.42) C1RADORA3ADORA1PDE10AHPGD
SCHEMBL22988173 0.91 ADORA3 (0.41) C1RADORA3ADORA1PDE10AHCAR1
SCHEMBL22987590 0.90 ADORA3 (0.41) C1RADORA3ADORA1MAPT
SCHEMBL22987958 0.90 ADORA3 (0.39) C1RADORA3ADORA1PDE10AHCAR1
SCHEMBL22987582 0.90 ADORA3 (0.40) ADORA3ADORA1HPGDMAPT
SCHEMBL22987584 0.89 ADORA3 (0.40) C1RADORA3ADORA1MAPT
SCHEMBL22987661 0.88 ADORA3 (0.40) C1RADORA3ADORA1PDE10AMGLL
SCHEMBL22987592 0.87 MCHR1 (0.39) C1RADORA3ADORA1
SCHEMBL22987511 0.85 ADORA3 (0.45) C1RADORA3ADORA1PDE10AMAPT
SCHEMBL25118631 0.85 CYP1A2 (0.49) C1RADORA3ADORA1MAPT

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