SCHEMBL21752837

SCHEMBL21752837

CSc1cc(F)cc([C@H]2CCCN2c2ccc3ncc(C(=O)N[C@H]4CCN(C(=O)O)C4)n3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.45
JAK2 O60674 1/20 0.42
INSR P06213 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
ROS1 P08922 1/20 0.42
FGR P09769 1/20 0.42
KIT P10721 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
TIE1 P35590 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL23761659 0.91 NTRK1 (0.49) NTRK1
SCHEMBL30921642 0.91 NTRK1 (0.49) NTRK1
SCHEMBL21752908 0.90 NTRK1 (0.38) NTRK1
SCHEMBL28594320 0.88 NTRK1 (0.51) NTRK1
SCHEMBL15428796 0.87 NTRK1 (0.59) NTRK1JAK2INSRLYNRET
SCHEMBL21752815 0.86 NTRK1 (0.54) NTRK1
SCHEMBL21752834 0.86 NTRK1 (0.45) NTRK1JAK2INSRLYNRET
SCHEMBL21752904 0.85 NTRK1 (0.50) NTRK1JAK2INSRLYNRET
SCHEMBL21752957 0.84 NTRK1 (0.43) NTRK1
SCHEMBL21752809 0.84 NTRK1 (0.43) NTRK1

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-3840832-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAI Bio Limited (GB) 2021-06-30 EP disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 WO disclosed