SCHEMBL28655844

SCHEMBL28655844

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.66
RIPK2 O43353 8/20 0.66
PDGFRB P09619 2/20 0.66
KIT P10721 2/20 0.66
FLT3 P36888 2/20 0.66
SIK1 P57059 1/20 0.66
RIPK4 P57078 1/20 0.66
DDR1 Q08345 1/20 0.66
RIPK1 Q13546 1/20 0.66
DSTYK Q6XUX3 1/20 0.66
RIPK3 Q9Y572 1/20 0.66
ABL1 P00519 8/20 0.56
EGFR P00533 8/20 0.56
ABL2 P42684 8/20 0.56
NEK7 Q8TDX7 1/20 0.51
LCK P06239 2/20 0.50
KDR P35968 2/20 0.50
RET P07949 2/20 0.50
JAK2 O60674 1/20 0.50
NTRK1 P04629 1/20 0.50

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
SCHEMBL28655842 1.00 SRC (0.66) SRCRIPK2PDGFRBKITFLT3
SCHEMBL23966925 0.94 RIPK2 (0.72) SRCRIPK2PDGFRBKITFLT3
SCHEMBL30569283 0.94 ABL1 (0.66) SRCRIPK2PDGFRBKITFLT3
SCHEMBL28929648 0.94 ABL1 (0.66) SRCRIPK2PDGFRBKITFLT3
SCHEMBL28929651 0.89 RIPK2 (0.53) SRCRIPK2PDGFRBKITFLT3
SCHEMBL28929652 0.89 RIPK2 (0.53) SRCRIPK2PDGFRBKITFLT3
SCHEMBL30569291 0.84 SRC (0.60) SRCRIPK2PDGFRBKITFLT3
SCHEMBL28670225 0.83 ABL1 (0.53) SRCRIPK2PDGFRBKITFLT3
SCHEMBL30569234 0.83 ABL1 (0.53) SRCRIPK2PDGFRBKITFLT3
SCHEMBL28928811 0.83 EGFR (0.71) SRCRIPK2ABL1EGFRABL2

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