SCHEMBL30147529

SCHEMBL30147529

CNC(=O)c1ccc2cn(C(F)F)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
THRB P10828 1/20 0.43
PLAU P00749 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ACSS2 Q9NR19 4/20 0.39
HDAC4 P56524 2/20 0.39
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
SYK P43405 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC2 Q92769 1/20 0.37
HPGDS O60760 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL30147538 0.89 PLK1 (0.49) PLK1THRBPLAUTDP1SMN1; SMN2
SCHEMBL29241319 0.71 HCAR3 (0.49) TDP1SMN1; SMN2
SCHEMBL30147606 0.69 PTGER3 (0.46) PLK1PLAUACSS2HDAC4CCNC
SCHEMBL15910725 0.69 KDM4E (0.56) PLAUSMN1; SMN2HDAC4SYK
SCHEMBL30147618 0.69 ALDH1A1 (0.46) PLK1THRBSMN1; SMN2HPGDSCYP3A4
SCHEMBL26425463 0.67 GAA (0.43) SMN1; SMN2
SCHEMBL25398530 0.66 SMN1; SMN2 (0.41) TDP1SMN1; SMN2
SCHEMBL9989122 0.66 PLK1 (0.48) PLK1THRBPLAUTDP1SMN1; SMN2
SCHEMBL2299005 0.66 PLK1 (0.77) PLK1TDP1HDAC6
SCHEMBL17741451 0.66 BACE1 (0.42)

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
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed