SCHEMBL29645954

SCHEMBL29645954

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(Br)cc3Cl)nn12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
THRB P10828 1/20 0.39
POLB P06746 2/20 0.36
ADORA3 P0DMS8 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.35
ADK P55263 1/20 0.34
TNKS O95271 1/20 0.34
P2RX7 Q99572 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL31150039 0.92 MAPT (0.43) MAPTTHRBPOLBADORA3NPC1
SCHEMBL29645636 0.88 MAPT (0.47) MAPTTHRBPOLBADORA3LMNA
SCHEMBL29645568 0.85 MAPT (0.35) MAPTTHRBPOLBADORA3TP53
SCHEMBL29645518 0.85 C1R (0.38) MAPTTHRBPOLBTP53LMNA
SCHEMBL29646071 0.85 MAPT (0.45) MAPTTHRBPOLBADORA3NPC1
SCHEMBL29645430 0.84 NPC1 (0.48) MAPTTHRBPOLBADORA3NPC1
SCHEMBL29645570 0.83 MAPT (0.40) MAPTTHRBPOLBADORA3ADK
SCHEMBL29645760 0.81 MAPT (0.56) MAPTTHRBPOLBADORA3TP53
SCHEMBL29645843 0.81 KMT2A (0.44) MAPTTHRBPOLBADORA3TP53
SCHEMBL29645527 0.81 MAPT (0.41) MAPTPOLBTP53LMNAADK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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