SCHEMBL1743471

SCHEMBL1743471

CCc1sc(C(=O)N[C@@H]2[C@@H](OC(=O)NCC3c4ccccc4-c4ccccc43)CCCC2(F)F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 5/20 0.40
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SGK1 O00141 1/20 0.33
CHEK1 O14757 1/20 0.33
IKBKB O14920 1/20 0.33
MAPK13 O15264 1/20 0.33
PDPK1 O15530 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
SCHEMBL1743475 0.82 MARK3 (0.41) MARK3USP2KMT2ANPC1RAB9A
SCHEMBL1692047 0.79 MARK3 (0.41) MARK3USP2KMT2ANPC1RAB9A
SCHEMBL1743459 0.79 MARK3 (0.63) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL10066134 0.75 USP2 (0.50) MARK3USP2KMT2ANPC1RAB9A
SCHEMBL15187437 0.72 USP2 (0.42) MARK3USP2KMT2ANPC1RAB9A
SCHEMBL1743478 0.69 MARK3 (0.38) MARK3KMT2ASGK1CHEK1IKBKB
SCHEMBL15168469 0.69 USP2 (0.42) MARK3USP2KMT2ANPC1RAB9A
SCHEMBL1691638 0.66 MARK3 (0.38) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL3710952 0.66 MARK3 (0.57) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL15187447 0.66 MARK3 (0.49) MARK3SGK1CHEK1IKBKBMAPK13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387315-A1 IMIDAZO[1,2-a]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-11-23 EP disclosed
WO-2010083145-A1 IMIDAZO[1,2-a]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-07-22 WO disclosed