SCHEMBL29012242

SCHEMBL29012242

CN(C=O)c1nnc(Cc2cccnc2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.42
KDR P35968 1/20 0.38
CHEK1 O14757 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXAS1 P24557 1/20 0.35
NR1D1 P20393 4/20 0.34
NR1H3 Q13133 4/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 1/20 0.33
RAD52 P43351 2/20 0.33
PSD A5PKW4 1/20 0.33
S1PR1 P21453 1/20 0.33
PLA2G7 Q13093 1/20 0.32

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
SCHEMBL27768365 0.83 CHEK1 (0.35) FLT1KDRCHEK1LMNA
SCHEMBL27768559 0.82 MCHR1 (0.35) FLT1KDRCHEK1LMNA
SCHEMBL12922006 0.81 FLT1 (0.42) FLT1CHEK1MEN1KMT2ATBXAS1
SCHEMBL12921998 0.80 CHEK1 (0.46) FLT1CHEK1LMNA
SCHEMBL29900031 0.80 CHEK1 (0.46) FLT1CHEK1LMNA
SCHEMBL12922002 0.79 FLT1 (0.45) FLT1CHEK1MEN1KMT2ALMNA
SCHEMBL28776699 0.77 CHEK1 (0.34) CHEK1MEN1KMT2ALMNA
SCHEMBL29900079 0.74 FLT1 (0.47) FLT1MEN1KMT2ANR1D1NR1H3
SCHEMBL14038918 0.73 CYP1A2 (0.44) MEN1KMT2ALMNARAD52S1PR1
SCHEMBL28781348 0.73 MCHR1 (0.39) CHEK1

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-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN claimed
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN claimed
CN-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN disclosed
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 CN disclosed