SCHEMBL2563501

SCHEMBL2563501

CNC(=O)c1coc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
PLK1 P53350 3/20 0.42
MAP2K1 Q02750 1/20 0.40
HTR2C P28335 1/20 0.39
MAPT P10636 3/20 0.39
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RIPK1 Q13546 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
P2RX7 Q99572 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL16395261 0.81 MAP2K1 (0.57) MAP2K1ALDH1A1PKMPOLBGAA
SCHEMBL15129410 0.80 KDM4E (0.48) HSD17B10MAPTALDH1A1LMNAGAA
SCHEMBL1919254 0.73 MAPT (0.58) PLK1MAPT
SCHEMBL14406018 0.73 MAP2K1 (0.68) MAP2K1
SCHEMBL6285909 0.72 KDM4E (0.45) HSD17B10MAPTALDH1A1MKNK1MKNK2
SCHEMBL24059139 0.71 NSD2 (0.67) PLK1PDE4BALDH1A1P2RX7TP53
SCHEMBL2638921 0.70 ADORA2A (0.70) MAP2K1
SCHEMBL4766191 0.69 P2RX7 (0.71) PLK1MAPTALDH1A1LMNAPOLB
SCHEMBL161745 0.69 GAA (0.48) PLK1MAPTALDH1A1LMNAPOLB
SCHEMBL93650 0.69 GAA (0.48) PLK1MAPTALDH1A1RIPK1MKNK1

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-2560976-A1 FUROPYRIDINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2013-02-27 EP claimed
WO-2011131709-A1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-10-27 WO claimed