SCHEMBL30462002

SCHEMBL30462002

CCOCCOc1ccc(CNc2nc(Cl)ncc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
PDE5A O76074 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL26627877 1.00 CCNE2 (0.43) CCNE2CCNE1CDK2PDE5AMEN1
SCHEMBL25976265 0.86 CCNE2 (0.40) CCNE2CCNE1CDK2KDM4ESMN1; SMN2
SCHEMBL29976549 0.85 CCNE2 (0.56) CCNE2CCNE1CDK2PDE5AMEN1
SCHEMBL1442298 0.79 PDE5A (0.53) PDE5AMEN1KMT2AKDM4EMAPK1
SCHEMBL31423660 0.78 USP1 (0.65) USP1WDR48
SCHEMBL30462058 0.78 PDE5A (0.49) CCNE2CCNE1CDK2PDE5A
SCHEMBL29043876 0.78 PDE5A (0.49) CCNE2CCNE1CDK2PDE5A
SCHEMBL25976929 0.77 SLC26A6 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL26627837 0.75 PDE4A (0.44) CCNE2CCNE1CDK2PDE5APOLB
SCHEMBL31423575 0.75 RORC (0.49)

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-118660872-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2024-09-17 CN disclosed
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 CN disclosed