SCHEMBL29645568

SCHEMBL29645568

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(Br)cc3OC(F)F)nn12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
P2RX7 Q99572 4/20 0.33
THRB P10828 3/20 0.33
TP53 P04637 3/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
ADK P55263 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL29645931 0.90 MAPT (0.39) MAPTP2RX7TP53POLBLMNA
SCHEMBL29645792 0.89 MAPT (0.38) MAPTP2RX7THRBTP53POLB
SCHEMBL29645518 0.88 C1R (0.38) MAPTTHRBTP53POLBSMN1; SMN2
SCHEMBL29645954 0.85 MAPT (0.41) MAPTP2RX7THRBTP53POLB
SCHEMBL29645621 0.84 C1R (0.37) MAPTTHRBTP53POLBSMN1; SMN2
SCHEMBL29646028 0.81 MAPT (0.45) MAPTTHRBTP53POLBSMN1; SMN2
SCHEMBL29645430 0.81 NPC1 (0.48) MAPTTHRBTP53POLBADORA3
SCHEMBL29646060 0.80 TP53 (0.47) MAPTTHRBTP53POLBSMN1; SMN2
SCHEMBL29645620 0.80 MAPT (0.36) MAPTTHRBTP53POLBSMN1; SMN2
SCHEMBL29645702 0.79 MAPT (0.41) MAPTTP53POLBADORA3RXFP1

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