SCHEMBL29645654

SCHEMBL29645654

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cn[nH]c3)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
POLB P06746 2/20 0.41
THRB P10828 3/20 0.41
TP53 P04637 3/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
RAD52 P43351 2/20 0.38
KMT2A Q03164 2/20 0.38
SMARCA2 P51531 1/20 0.38
UHRF1 Q96T88 1/20 0.38
GAA P10253 2/20 0.38
ALPL P05186 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HCRTR1 O43613 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 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
SCHEMBL31149966 0.92 TP53 (0.43) MAPTPOLBTHRBTP53ADORA3
SCHEMBL29645760 0.88 MAPT (0.56) MAPTPOLBTHRBTP53ADORA3
SCHEMBL29645807 0.85 TP53 (0.39) MAPTPOLBTHRBTP53SMN1; SMN2
SCHEMBL29645427 0.84 MAPT (0.45) MAPTPOLBTHRBTP53ADORA3
SCHEMBL29645837 0.84 EGFR (0.36) POLBTP53SMN1; SMN2RXFP1
SCHEMBL29646128 0.83 MAPT (0.44) MAPTPOLBTHRBTP53ADORA3
SCHEMBL29645731 0.83 MAPT (0.44) MAPTPOLBTHRBTP53ADORA3
SCHEMBL29645503 0.83 ADORA3 (0.49) MAPTPOLBTHRBTP53ADORA3
SCHEMBL29645888 0.83 MAPT (0.55) MAPTPOLBTHRBTP53ADORA3
SCHEMBL29645834 0.83 ADORA3 (0.49) MAPTPOLBTHRBTP53ADORA3

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