SCHEMBL29071127

SCHEMBL29071127

Cn1cc(-c2cnc(N)c(C#Cc3ccc(F)cc3C(=O)NCc3ccsc3)c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.69
MET P08581 9/20 0.59
CSF1R P07333 5/20 0.49
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
YES1 P07947 1/20 0.46
LYN P07948 1/20 0.46
HCK P08631 1/20 0.46
FGR P09769 1/20 0.46
SRC P12931 1/20 0.46
CSK P41240 1/20 0.46
BLK P51451 1/20 0.46
BMX P51813 1/20 0.46
SRMS Q9H3Y6 1/20 0.46

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
SCHEMBL29071128 0.88 MET (0.62) MAPK1METCSF1R
SCHEMBL29071331 0.87 MET (0.61) MAPK1METCSF1RABL1LCK
SCHEMBL29071405 0.85 MET (0.59) MAPK1METCSF1R
SCHEMBL29071359 0.85 CSF1R (0.65) MAPK1CSF1RABL1LCKFYN
SCHEMBL16679782 0.82 MAPK1 (1.00) MAPK1MET
SCHEMBL29071150 0.81 MET (0.60) MAPK1METCSF1RABL1LCK
SCHEMBL29071369 0.80 MAPK1 (0.56) MAPK1METCSF1RABL1LCK
SCHEMBL29071182 0.79 MAPK1 (0.54) MAPK1METCSF1RABL1LCK
SCHEMBL29071388 0.77 MAPK1 (0.52) MAPK1METCSF1R
SCHEMBL29071394 0.76 CSF1R (0.57) MAPK1METCSF1R

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
CN-116730978-A Compound containing heteroaromatic ring alkynyl, preparation method and application thereof 中国科学院上海药物研究所 2023-09-12 CN disclosed