SCHEMBL24072104

SCHEMBL24072104

Cc1cn(C2CC2)c2ncnc(N)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 9/20 0.61
SRC P12931 8/20 0.59
ABL1 P00519 6/20 0.56
FLT3 P36888 2/20 0.56
RET P07949 2/20 0.56
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
PAK4 O96013 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
CSF1R P07333 1/20 0.56
IGF1R P08069 1/20 0.56
FGFR1 P11362 1/20 0.56
PRKACA P17612 1/20 0.56
FLT1 P17948 1/20 0.56
LTK P29376 1/20 0.56
KDR P35968 1/20 0.56
MAP2K2 P36507 1/20 0.56
MAPK8 P45983 1/20 0.56
CSNK1A1 P48729 1/20 0.56

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
SCHEMBL19264162 0.94 SRC (0.61) RIPK2SRCABL1FLT3RET
SCHEMBL10261381 0.90 FGR (0.57) RIPK2SRCABL1FLT3RET
SCHEMBL14644244 0.90 RIPK2 (0.52) RIPK2SRCABL1FLT3RET
SCHEMBL10261916 0.86 ADK (0.55) RIPK2SRCABL1FLT3RET
SCHEMBL19563041 0.86 ADK (0.55) RIPK2SRCABL1FLT3RET
SCHEMBL14643787 0.86 ADK (0.52) RIPK2SRCABL1FLT3RET
SCHEMBL14643106 0.86 ADK (0.52) RIPK2SRCABL1FLT3RET
SCHEMBL24251908 0.84 ADK (0.48) RIPK2SRCABL1FLT3RET
SCHEMBL23847697 0.84 ADK (0.48) RIPK2SRCABL1FLT3RET
SCHEMBL23847617 0.83 RIPK2 (0.47) RIPK2SRCABL1FLT3RET

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
WO-2021242505-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-02 WO disclosed