SCHEMBL28865786

SCHEMBL28865786

CCOC(=O)c1c(N)c(C#N)cn1-c1ccc(OC)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL28865776 0.81 KDM4E (0.51) KDM4EL3MBTL1MAPTSMN1; SMN2GABRA2
SCHEMBL4218652 0.76 KDM4E (0.71) KDM4EL3MBTL1MAPTSMN1; SMN2GABRA2
SCHEMBL4373094 0.76 KDM4E (0.64) KDM4EL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1492332 0.75 SMN1; SMN2 (0.52) KDM4EMAPTSMN1; SMN2GABRA2GABRB2
SCHEMBL187425 0.75 PTPN11 (0.50)
Hydrochloric Acid SCHEMBL1492314 0.74 SMN1; SMN2 (0.51) KDM4EMAPTSMN1; SMN2GABRA2GABRB2
SCHEMBL5425252 0.74 GABRA2 (0.60) MAPTSMN1; SMN2GABRA2GABRB2ALDH1A1
SCHEMBL8059093 0.73 HTT (0.54) KDM4EMAPTSMN1; SMN2GABRA2GABRB2
SCHEMBL11937553 0.72 KDM4E (0.56) KDM4EALDH1A1POLBNPSR1HSD17B10
SCHEMBL1492389 0.71 KDM4E (0.43) KDM4EL3MBTL1MAPTSMN1; SMN2GABRA2

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-115073470-B Pyrrolopyrimidinone derivative, and preparation method and application thereof 南京中瑞药业有限公司 2025-02-11 CN disclosed
CN-115073470-A Pyrrolopyrimidinone derivative and preparation method and application thereof 南京中瑞药业有限公司 2022-09-20 CN disclosed