SCHEMBL2017393

SCHEMBL2017393

Cc1nc(C(N)=O)c(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PKM P14618 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
KAT2B Q92831 1/20 0.47
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
NUDT1 P36639 1/20 0.43
GPR3 P46089 1/20 0.42
MAP2K3 P46734 2/20 0.42
LCK P06239 1/20 0.42
MAP2K6 P52564 1/20 0.42
BTK Q06187 1/20 0.42
MAP3K19 Q56UN5 1/20 0.42
NEK10 Q6ZWH5 1/20 0.42

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
SCHEMBL30223610 0.85 KDM4E (0.47) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL3254262 0.80 KDM4E (0.44) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL13440420 0.79 MEN1 (0.49) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL15090938 0.77 HSD17B10 (0.50) LMNAKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL1840712 0.76 ALDH1A1 (0.49) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL26606779 0.76 THRB (0.46) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL11259275 0.75 KDR (0.46) CYP1A2IKBKB
SCHEMBL30471260 0.73 LCK (0.67) LMNAKDM4EADORA3PKMADORA2A
Formamide SCHEMBL28891685 0.71 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL11940152 0.71 KDM4E (0.39) LMNAKDM4EADORA3PKMADORA2A

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed