SCHEMBL29314289

SCHEMBL29314289

CP(C)c1ccc(Cc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 2/20 0.34
CHKA P35790 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
PDK1 Q15118 2/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL29317092 0.86 MET (0.43) MET
SCHEMBL29314335 0.86 MET (0.35) METPDE10AKLKB1KLK1KCNH2
SCHEMBL29317449 0.84 ABCB1 (0.36) METKDM4EALDH1A1TP53HSP90AA1
SCHEMBL29316038 0.83 MET (0.36) METKDM4EALDH1A1TP53HSP90AA1
SCHEMBL22109506 0.83 MET (0.40) METKDM4EALDH1A1TP53HSP90AA1
SCHEMBL29317374 0.81 MET (0.42) MET
SCHEMBL22109501 0.81 MET (0.40) METHDAC3
SCHEMBL29314464 0.77 NPC1 (0.36) METALDH1A1TSHRHSD17B10PDE10A
SCHEMBL22109643 0.75 ATR (0.40) MET
SCHEMBL14378443 0.74 MET (0.44) METKDM4EALDH1A1TP53HSP90AA1

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-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed