SCHEMBL29646044

SCHEMBL29646044

CN(C)CCn1cc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.41
TGFBR1 P36897 3/20 0.41
POLB P06746 2/20 0.41
RAD52 P43351 2/20 0.41
SMARCA2 P51531 1/20 0.41
KMT2A Q03164 1/20 0.41
UHRF1 Q96T88 1/20 0.41
MAPT P10636 6/20 0.40
THRB P10828 3/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
USP1 O94782 1/20 0.37
HCRTR1 O43613 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
SCHEMBL29645994 0.90 MAPT (0.42) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL29646194 0.88 TP53 (0.44) POLBRAD52KMT2AMAPTTHRB
SCHEMBL29645452 0.87 MAPT (0.41) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL29645782 0.86 MAPT (0.43) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL29645998 0.85 MAPT (0.41) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL29645471 0.83 MAPT (0.40) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL31150078 0.83 MAPT (0.42) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL29645480 0.83 MAPT (0.42) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL29645760 0.81 MAPT (0.56) POLBRAD52SMARCA2KMT2AUHRF1
SCHEMBL29645537 0.80 MAPT (0.41) POLBRAD52SMARCA2KMT2AUHRF1

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