SCHEMBL29645894

SCHEMBL29645894

CN(C)c1ccccc1-c1nc2c3ccccc3nc(Nc3ccccnc3=O)n2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MAPT P10636 7/20 0.39
POLB P06746 3/20 0.39
RAD52 P43351 2/20 0.38
SMARCA2 P51531 1/20 0.38
KMT2A Q03164 1/20 0.38
UHRF1 Q96T88 1/20 0.38
THRB P10828 3/20 0.37
ADK P55263 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL29645533 0.87 MAPT (0.41) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645608 0.86 MAPT (0.40) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645636 0.85 MAPT (0.47) MAPTPOLBKMT2ATHRBADK
SCHEMBL29645843 0.85 KMT2A (0.44) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645527 0.85 MAPT (0.41) MAPTPOLBADKTP53
SCHEMBL29645430 0.85 NPC1 (0.48) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29645516 0.84 MAPT (0.46) KDM1AMAPTPOLBRAD52SMARCA2
SCHEMBL29646208 0.84 MAPT (0.41) MAPTPOLBRAD52SMARCA2KMT2A
SCHEMBL29646060 0.84 TP53 (0.47) MAPTPOLBKMT2ATHRBTP53
SCHEMBL29645760 0.83 MAPT (0.56) MAPTPOLBRAD52SMARCA2KMT2A

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