SCHEMBL30458927

SCHEMBL30458927

[2H]c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.59
NTRK2 Q16620 9/20 0.59
NTRK3 Q16288 7/20 0.59
JAK2 O60674 7/20 0.59
INSR P06213 3/20 0.59
LYN P07948 3/20 0.59
RET P07949 3/20 0.59
MET P08581 3/20 0.59
ROS1 P08922 3/20 0.59
FGR P09769 3/20 0.59
KIT P10721 3/20 0.59
FGFR4 P22455 3/20 0.59
FGFR3 P22607 3/20 0.59
TIE1 P35590 3/20 0.59
KDR P35968 3/20 0.59
FLT3 P36888 3/20 0.59
ALK Q9UM73 3/20 0.59
ABL1 P00519 2/20 0.53
LCK P06239 2/20 0.53
CSF1R P07333 2/20 0.53

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
SCHEMBL30875980 0.89 NTRK1 (0.61) NTRK1NTRK2NTRK3JAK2INSR
Hydrochloric Acid SCHEMBL31748851 0.88 NTRK1 (0.60) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL431966 0.77 NTRK1 (0.71) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL431504 0.77 NTRK1 (0.71) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL447272 0.77 NTRK1 (0.69) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL431792 0.77 NTRK1 (0.69) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL24046318 0.75 NTRK1 (0.81) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL446757 0.75 NTRK1 (0.67) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL446550 0.75 NTRK1 (0.67) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL2181459 0.74 NTRK1 (0.68) NTRK1NTRK2NTRK3JAK2INSR

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO claimed