SCHEMBL30831950

SCHEMBL30831950

CC(=O)NCCNC(=O)Nc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.73
FLT4 P35916 1/20 0.73
L3MBTL1 Q9Y468 2/20 0.61
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
CNR1 P21554 1/20 0.55
FPR2 P25090 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CASP3 P42574 1/20 0.52

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
SCHEMBL10987238 0.86 CDK2 (0.75) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL30831938 0.85 CDK2 (0.69) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL12989334 0.84 CDK2 (0.81) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL3787099 0.83 CDK2 (0.75) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL12846720 0.83 CDK2 (0.69) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL22170087 0.82 CDK2 (0.69) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL17524348 0.82 CDK2 (0.73) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL6464624 0.81 CDK2 (0.71) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL3780409 0.81 FLT4 (0.81) CDK2FLT4L3MBTL1RAB9ANPC1
SCHEMBL10077312 0.80 CNR1 (0.70) RAB9ANPC1ALDH1A1HTTCNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777136-B 1, 3-Disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2025-04-29 CN claimed
CN-117777136-A 1, 3-disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2024-03-29 CN claimed
CN-117777136-B 1, 3-Disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2025-04-29 CN disclosed
CN-117777136-A 1, 3-disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2024-03-29 CN disclosed