SCHEMBL29317449

SCHEMBL29317449

CP(C)c1ccc(Nc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MET P08581 6/20 0.35
NPC1 O15118 1/20 0.35
DHFR P00374 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC3 O15379 1/20 0.34
EGFR P00533 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
TERT O14746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHKA P35790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 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
SCHEMBL29314464 0.91 NPC1 (0.36) ABCB1ABCC1ABCG2METNPC1
SCHEMBL29314565 0.89 MET (0.34) ABCB1ABCC1ABCG2METNPC1
SCHEMBL22109644 0.88 ABCB1 (0.36) ABCB1ABCC1ABCG2METNPC1
SCHEMBL29314289 0.84 MET (0.37) METHDAC3ALDH1A1TSHRHSD17B10
SCHEMBL29317092 0.84 MET (0.43) METNPC1
SCHEMBL21167441 0.84 PIK3CA (0.41) ABCB1ABCC1ABCG2NPC1
SCHEMBL24591103 0.81 GRM5 (0.36) ABCB1ABCC1ABCG2METNPC1
SCHEMBL29317471 0.81 NPC1 (0.43) ABCB1ABCC1ABCG2METNPC1
SCHEMBL29316038 0.81 MET (0.36) METALDH1A1TSHRHSD17B10KLKB1
SCHEMBL22109506 0.81 MET (0.40) METNPC1HDAC3ALDH1A1TSHR

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