SCHEMBL29649752

SCHEMBL29649752

O=C(NC1CCCCC1)c1cccn2c(=O)c3cc(F)ccc3nc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 7/20 0.60
ATM Q13315 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.53
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL21836090 1.00 POLR1A (0.60) POLR1AATMKMT2AMEN1ALDH1A1
SCHEMBL21836086 0.92 POLR1A (0.57) POLR1AATMKMT2AMEN1ALDH1A1
SCHEMBL21798899 0.90 POLR1A (0.58) POLR1AATMKMT2AMEN1ALDH1A1
SCHEMBL21836068 0.89 POLR1A (0.61) POLR1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29649787 0.89 POLR1A (0.61) POLR1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21993198 0.88 ALDH1A1 (0.72) POLR1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL29649827 0.88 POLR1A (0.63) POLR1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21836072 0.88 ALDH1A1 (0.72) POLR1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21836067 0.88 POLR1A (0.63) POLR1AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21836077 0.88 POLR1A (0.62) POLR1AKMT2AMEN1ALDH1A1KDM4E

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