SCHEMBL28929652

SCHEMBL28929652

Nc1ccc(-c2cn(C3CCC(O)CC3)c3ncnc(Cl)c23)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 8/20 0.53
SRC P12931 7/20 0.53
PDGFRB P09619 2/20 0.53
KIT P10721 2/20 0.53
FLT3 P36888 2/20 0.53
SIK1 P57059 1/20 0.53
RIPK4 P57078 1/20 0.53
DDR1 Q08345 1/20 0.53
RIPK1 Q13546 1/20 0.53
DSTYK Q6XUX3 1/20 0.53
RIPK3 Q9Y572 1/20 0.53
ABL1 P00519 6/20 0.44
EGFR P00533 6/20 0.44
ABL2 P42684 6/20 0.44
NEK7 Q8TDX7 2/20 0.43
LCK P06239 2/20 0.40
KDR P35968 2/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40

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
SCHEMBL28929651 1.00 RIPK2 (0.53) RIPK2SRCPDGFRBKITFLT3
SCHEMBL30569234 0.94 ABL1 (0.53) RIPK2SRCPDGFRBKITFLT3
SCHEMBL28670225 0.94 ABL1 (0.53) RIPK2SRCPDGFRBKITFLT3
SCHEMBL28655844 0.89 SRC (0.66) RIPK2SRCPDGFRBKITFLT3
SCHEMBL28655842 0.89 SRC (0.66) RIPK2SRCPDGFRBKITFLT3
SCHEMBL28656676 0.85 SRC (0.48) RIPK2SRCPDGFRBKITFLT3
SCHEMBL30569231 0.85 SRC (0.48) RIPK2SRCPDGFRBKITFLT3
SCHEMBL28669572 0.84 EGFR (0.56) RIPK2SRCABL1EGFRABL2
SCHEMBL28669568 0.84 EGFR (0.56) RIPK2SRCABL1EGFRABL2
SCHEMBL23966925 0.83 RIPK2 (0.72) RIPK2SRCPDGFRBKITFLT3

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-113683629-B Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2023-07-04 CN disclosed
CN-113683629-A Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2021-11-23 CN disclosed