SCHEMBL1743475

SCHEMBL1743475

CCc1sc(C(=O)N[C@@H]2[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CCCC2(F)F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 4/20 0.41
USP2 O75604 1/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SGK1 O00141 1/20 0.33
CHEK1 O14757 1/20 0.33
IKBKB O14920 1/20 0.33
MAPK13 O15264 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
SCHEMBL1743478 0.86 MARK3 (0.38) MARK3KMT2AEPHX2SGK1CHEK1
SCHEMBL1743471 0.82 MARK3 (0.40) MARK3USP2KMT2AKDM4EALDH1A1
SCHEMBL3714709 0.82 KMT2A (0.46) KMT2AEPHX2CASP3TDP1
SCHEMBL15187428 0.82 IRAK4 (0.56) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL15187447 0.82 MARK3 (0.49) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL3710952 0.82 MARK3 (0.57) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL3714710 0.81 KMT2A (0.43) KMT2AEPHX2CASP3TDP1
SCHEMBL15187437 0.81 USP2 (0.42) MARK3USP2KMT2AKDM4EALDH1A1
SCHEMBL15188744 0.81 MARK3 (0.47) MARK3SGK1CHEK1IKBKBMAPK13
SCHEMBL1692047 0.80 MARK3 (0.41) MARK3USP2KMT2AKDM4EALDH1A1

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