SCHEMBL29314519

SCHEMBL29314519

CNP(c1ccc(Nc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1F)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TERT O14746 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
MET P08581 7/20 0.32
HDAC3 O15379 1/20 0.31
BRAF P15056 1/20 0.31
KLKB1 P03952 1/20 0.30
KLK1 P06870 1/20 0.30
EGFR P00533 1/20 0.30
ORAI1 Q96D31 1/20 0.30
CHKA P35790 1/20 0.30

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
SCHEMBL22109644 0.90 ABCB1 (0.36) ABCB1ABCC1ABCG2TERTIRAK4
SCHEMBL29314464 0.81 NPC1 (0.36) ABCB1ABCC1ABCG2TERTMET
SCHEMBL29317449 0.81 ABCB1 (0.36) ABCB1ABCC1ABCG2TERTMET
SCHEMBL29314335 0.76 MET (0.35) METHDAC3KLKB1KLK1
SCHEMBL21167441 0.76 PIK3CA (0.41) ABCB1ABCC1ABCG2BRAF
SCHEMBL29314565 0.76 MET (0.34) ABCB1ABCC1ABCG2TERTMET
SCHEMBL22475873 0.75 BRAF (0.36) ABCB1ABCC1ABCG2METBRAF
SCHEMBL22109643 0.75 ATR (0.40) MET
SCHEMBL29314357 0.74 NPC1 (0.40) ABCB1ABCC1ABCG2METHDAC3
SCHEMBL24591103 0.74 GRM5 (0.36) ABCB1ABCC1ABCG2METHDAC3

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