SCHEMBL29314533

SCHEMBL29314533

CCOC(=O)COP(OC)c1ccc(Nc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
PTGES O14684 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
NOTUM Q6P988 1/20 0.33
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
DHFR P00374 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 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
SCHEMBL29314565 0.86 MET (0.34) ALOX5NPC1RAB9AALDH1A1MEN1
SCHEMBL29317449 0.81 ABCB1 (0.36) NPC1ALDH1A1SMN1; SMN2HDAC6DHFR
SCHEMBL29314464 0.79 NPC1 (0.36) NPC1ALDH1A1HDAC6DHFRCYP1A2
SCHEMBL29314367 0.77 HDAC6 (0.38) ALOX5NPC1HDAC6NOTUMHDAC4
SCHEMBL21167441 0.76 PIK3CA (0.41) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL22109644 0.73 ABCB1 (0.36) NPC1HDAC6DHFRHDAC3KLKB1
SCHEMBL24591103 0.72 GRM5 (0.36) NPC1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL24591153 0.72 GSK3A (0.39) NPC1RAB9AALDH1A1ALOX15HTT
SCHEMBL24591142 0.72 PLK1 (0.48) ALDH1A1HDAC6HDAC3KLKB1KLK1
SCHEMBL22475873 0.71 BRAF (0.36) NPC1ALDH1A1MEN1KMT2AHDAC6

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