SCHEMBL30462006

SCHEMBL30462006

CC(C)c1ccccc1-c1ncc2c(n1)NCCO2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP1 O94782 17/20 0.46
PIP4K2C Q8TBX8 1/20 0.41
WDR48 Q8TAF3 5/20 0.39
GRM5 P41594 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL26627854 1.00 USP1 (0.46) USP1PIP4K2CWDR48GRM5ALOX5AP
SCHEMBL30707897 0.85 USP1 (0.37) USP1GRM5ALOX5APFEN1
SCHEMBL26627766 0.78 USP1 (0.44) USP1
SCHEMBL30462041 0.78 USP1 (0.44) USP1
SCHEMBL5332952 0.77 GRM5 (0.48) GRM5ALOX5APFEN1
SCHEMBL30278074 0.73 PIK3CD (0.41)
SCHEMBL29904794 0.72 USP1 (0.43) USP1PIP4K2CWDR48
SCHEMBL30698033 0.72 NPC1 (0.43) GRM5ALOX5APFEN1
SCHEMBL30277907 0.70 GRM5 (0.33) GRM5
SCHEMBL16692863 0.69 GRM5 (0.40) GRM5ALOX5APFEN1

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