SCHEMBL29314565

SCHEMBL29314565

CCOP(OCC)c1ccc(Nc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ALOX5 P09917 3/20 0.33
TERT O14746 1/20 0.33
NPC1 O15118 2/20 0.32
DHFR P00374 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
BRAF P15056 1/20 0.32
IGF1R P08069 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC3 O15379 1/20 0.32
EGFR P00533 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
SCHEMBL29317449 0.89 ABCB1 (0.36) METABCB1ABCC1ABCG2TERT
SCHEMBL29314464 0.87 NPC1 (0.36) METABCB1ABCC1ABCG2TERT
SCHEMBL29314533 0.86 ALOX5 (0.39) ALOX5NPC1DHFRMEN1ALDH1A1
SCHEMBL21167441 0.82 PIK3CA (0.41) ABCB1ABCC1ABCG2NPC1MEN1
SCHEMBL22109644 0.80 ABCB1 (0.36) METABCB1ABCC1ABCG2TERT
SCHEMBL24591103 0.78 GRM5 (0.36) METABCB1ABCC1ABCG2NPC1
SCHEMBL24591153 0.77 GSK3A (0.39) METNPC1ALDH1A1RAB9ABRAF
SCHEMBL22475873 0.77 BRAF (0.36) METABCB1ABCC1ABCG2NPC1
SCHEMBL22475725 0.76 KDR (0.41) METDHFRALDH1A1SMN1; SMN2HDAC3
SCHEMBL29314519 0.76 ABCB1 (0.33) METABCB1ABCC1ABCG2TERT

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