SCHEMBL3394286

SCHEMBL3394286

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
PTK2B Q14289 1/20 0.37
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 4/20 0.36
ALOX15 P16050 1/20 0.36
TP53 P04637 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL3394251 0.96 PTK2B (0.39) LMNAPTK2BMAPTMAPK1ALDH1A1
SCHEMBL3392512 0.94 PTK2B (0.36) PTK2BTNFRAB9ANOD1MAPT
SCHEMBL3389398 0.93 PTK2B (0.36) LMNAPTK2BTNFRAB9ANOD1
SCHEMBL3393200 0.93 PTK2B (0.37) LMNAPTK2BRAB9AMAPTMAPK1
SCHEMBL3393248 0.93 MAPT (0.43) LMNAPTK2BMAPTMAPK1ALDH1A1
SCHEMBL3392832 0.91 BRAF (0.35) LMNAPTK2BTP53BRAFMAPK14
SCHEMBL3390664 0.91 BRAF (0.35) LMNAPTK2BMAPTMAPK1ALDH1A1
SCHEMBL3394297 0.90 PTK2B (0.40) LMNAPTK2BALDH1A1KDM4EKMT2A
SCHEMBL3174404 0.90 MAPK14 (0.38) LMNAPTK2BMAPTALDH1A1HTT
SCHEMBL3391076 0.89 PHGDH (0.40) PTK2BALDH1A1KDM4EMEN1CYP1A2

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed