SCHEMBL29316038

SCHEMBL29316038

CP(C)c1ccc(-c2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.36
PDK1 Q15118 2/20 0.35
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
CHKA P35790 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34

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 0.89 MET (0.43) MET
SCHEMBL29317374 0.86 MET (0.42) MET
SCHEMBL22109501 0.85 MET (0.40) MET
SCHEMBL29314289 0.83 MET (0.37) METPDK1KDM4EALDH1A1TP53
SCHEMBL22109506 0.83 MET (0.40) METPDK1KDM4EALDH1A1TP53
SCHEMBL29317449 0.81 ABCB1 (0.36) METPDK1KDM4EALDH1A1TP53
SCHEMBL22109643 0.80 ATR (0.40) MET
SCHEMBL22109430 0.77 MET (0.45) MET
SCHEMBL22109389 0.77 MET (0.40) MET
SCHEMBL29316242 0.77 MET (0.40) MET

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