SCHEMBL25820500

SCHEMBL25820500

CCOC(=O)c1cc(C#N)c(Br)c(F)c1NC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.47
ALDH1A1 P00352 12/20 0.47
MAPT P10636 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HSD17B10 Q99714 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 7/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL31048944 0.87 GAA (0.44) KDM4EALDH1A1MAPTKMT2ARXFP1
SCHEMBL25824998 0.83 CA12 (0.41) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL25815028 0.83 CA12 (0.41) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL25820439 0.82 KDM4E (0.55) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL25820378 0.81 ALDH1A1 (0.40) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL1567678 0.69 KDM4E (0.52) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL21318015 0.69 KDM4E (0.58) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL5863618 0.69 KDM4E (0.51) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL1654418 0.69 KDM4E (0.51) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17111962 0.69 TSHR (0.54) KDM4EALDH1A1MAPTKMT2AMEN1

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
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed