SCHEMBL31426318

SCHEMBL31426318

CC1(C)CNC(=O)c2cc(F)c(N)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.39
KDM4E B2RXH2 1/20 0.33
AR P10275 2/20 0.32
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
JAK2 O60674 2/20 0.30
DAPK3 O43293 1/20 0.30
NTRK1 P04629 1/20 0.30
PIM1 P11309 1/20 0.30
FLT3 P36888 1/20 0.30
GSK3B P49841 1/20 0.30
ROCK1 Q13464 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL31351733 0.83 CDC7 (0.39) CDC7KDM4EARPARP1PARP10
SCHEMBL30934959 0.81 CDC7 (0.37) CDC7KDM4EARPARP1PARP10
SCHEMBL31351771 0.81 CDC7 (0.39) CDC7KDM4EPARP1PARP10
SCHEMBL30935019 0.75 CDC7 (0.33) CDC7KDM4EJAK2
SCHEMBL31351723 0.74 CDC7 (0.43) CDC7KDM4EPARP1
SCHEMBL31351716 0.74 CDC7 (0.43) CDC7KDM4EPARP1
SCHEMBL445602 0.74 CDC7 (0.43) CDC7KDM4EPARP1FLT3
SCHEMBL9381850 0.74 CYP1A2 (0.42) CDC7
SCHEMBL3872555 0.69 GRM5 (0.43) KDM4EPARP1GSK3B
SCHEMBL428211 0.69 PARP10 (0.51) CDC7KDM4EPARP1PARP10CLK4

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
EP-4747244-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Limited (GB) 2026-05-27 EP disclosed
WO-2025017306-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2025-01-23 WO disclosed