SCHEMBL29155145

SCHEMBL29155145

c1cc2[nH]c(NC3CCCCC3)ncc-2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.44
DBF4 Q9UBU7 6/20 0.44
CDK1 P06493 5/20 0.42
CDK2 P24941 4/20 0.42
CSF1R P07333 3/20 0.42
MAP4K4 O95819 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
GSK3B P49841 2/20 0.42
PIM3 Q86V86 2/20 0.42
HIPK2 Q9H2X6 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
MARK3 P27448 1/20 0.42
MAPK1 P28482 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL2153779 0.74 CDC7 (0.50) CDC7DBF4CSF1RKDM4E
SCHEMBL20336245 0.74 RIPK1 (0.49) CDK1GSK3BMAPK1GSK3AKDM4E
SCHEMBL5774342 0.73 CHRNB2 (0.33) IRAK4
SCHEMBL3604812 0.72
SCHEMBL14656521 0.72 RIPK1 (0.47) MAPK1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL14656795 0.72 TRIM24 (0.41) CDC7DBF4CDK1CDK2CSF1R
SCHEMBL2161772 0.71 SCN2A (0.47) CDK1GSK3BGSK3ACDK5KDM4E
SCHEMBL2161901 0.71 ALDH1A1 (0.41) CDC7DBF4CDK1CDK2CSF1R
SCHEMBL14656404 0.68 MAPT (0.55) MAPK1GAAALDH1A1RIPK1CTSK
SCHEMBL7336066 0.68 CHRM3 (0.40) CDC7DBF4CDK1CDK2CSF1R

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-119343143-A Boron-containing pyrimidine compounds, compositions containing them, methods and uses thereof 博拉公司 2025-01-21 CN disclosed
CN-117242080-A Boron-containing pyrazole compounds, compositions comprising the same, methods and uses thereof 勃林格殷格翰动物保健美国公司 2023-12-15 CN disclosed