SCHEMBL29649748

SCHEMBL29649748

O=C(NC1CCCC1)c1cccn2c(=O)c3cc(O)ccc3nc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 11/20 0.62
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
KCNH2 Q12809 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL21836077 1.00 POLR1A (0.62) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21836068 0.99 POLR1A (0.61) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL29649787 0.99 POLR1A (0.61) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21798990 0.91 POLR1A (0.59) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21836076 0.89 ALDH1A1 (0.73) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21836067 0.88 POLR1A (0.63) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21836090 0.88 POLR1A (0.60) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21993198 0.88 ALDH1A1 (0.72) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21836071 0.88 POLR1A (0.60) POLR1AALDH1A1KMT2AMEN1KDM4E
SCHEMBL21836072 0.88 ALDH1A1 (0.72) POLR1AALDH1A1KMT2AMEN1KDM4E

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-111247143-B Pyridoquinazoline derivatives useful as inhibitors of protein kinases 昂科斯特拉公司 2022-07-05 CN claimed
CN-111247143-B Pyridoquinazoline derivatives useful as inhibitors of protein kinases 昂科斯特拉公司 2022-07-05 CN disclosed