SCHEMBL29314758

SCHEMBL29314758

CC1CCC(P(C)c2ccc(-c3cnc(N)c(N(N)Cc4ccc5ncccc5c4)n3)cc2F)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.34
MET P08581 16/20 0.34
CDKL5 O76039 1/20 0.34
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL22109643 0.86 ATR (0.40) ATRMETCDKL5
SCHEMBL29314697 0.77 MET (0.37) ATRMETKCNH2HRH3
SCHEMBL29317202 0.76 ATR (0.41) ATRMETCDKL5KCNH2
SCHEMBL29317092 0.76 MET (0.43) ATRMET
SCHEMBL29317374 0.75 MET (0.42) ATRMET
SCHEMBL22109501 0.74 MET (0.40) ATRMET
SCHEMBL22109389 0.74 MET (0.40) ATRMET
SCHEMBL29314335 0.73 MET (0.35) METKCNH2
SCHEMBL29317084 0.72 MET (0.43) ATRMET
SCHEMBL22109644 0.72 ABCB1 (0.36) 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