SCHEMBL23937809

SCHEMBL23937809

Nc1cc2cccn2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
PIM3 Q86V86 1/20 0.41
ALK Q9UM73 1/20 0.41
ALOX15 P16050 1/20 0.39
GRM4 Q14833 2/20 0.38
CHRNA7 P36544 1/20 0.35
PDPK1 O15530 1/20 0.33
PIK3CB P42338 1/20 0.32
ASIC3 Q9UHC3 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL6921897 0.75 ALOX15 (0.39) ALOX15GRM4CHRNA7KDM4EMEN1
SCHEMBL30322673 0.73 CHRNA7 (0.52) FGFR1ALOX15GRM4CHRNA7KMT2A
SCHEMBL14234175 0.71 GRM4 (0.36) ALOX15GRM4CHRNA7POLB
SCHEMBL12248509 0.71 GRM4 (0.36) ALOX15GRM4CHRNA7KDM4ENPC1
SCHEMBL14212420 0.71 GRM4 (0.36) ALOX15GRM4CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL27629541 0.71 GRM4 (0.36) ALOX15GRM4CHRNA7
SCHEMBL29941777 0.69 ALOX15 (0.43) ALOX15GRM4CHRNA7KDM4EMEN1
SCHEMBL16864227 0.68 CHRNA7 (0.48) ALOX15GRM4CHRNA7KDM4EBACE1
SCHEMBL12647741 0.68 CHRNA7 (0.48) ALOX15GRM4CHRNA7KDM4EBACE1
Hydrochloric Acid SCHEMBL5917945 0.68 CHRNA7 (0.48) ALOX15GRM4CHRNA7KDM4EBACE1

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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed