SCHEMBL1704643

SCHEMBL1704643

CC(C)(C)OC(=O)N1CCN(c2cncc(-c3cc([N+](=O)[O-])cc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MET P08581 2/20 0.42
SYK P43405 2/20 0.42
KIT P10721 1/20 0.39
BRAF P15056 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GBA1 P04062 1/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
WNT3A P56704 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
SCHEMBL901813 0.88 ALDH1A1 (0.40) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL1704429 0.87 KARS1 (0.46) MAPTSYKKITBRAFGPR119
SCHEMBL1704894 0.87 KARS1 (0.50) MAPTALDH1A1LMNASYKGPR119
SCHEMBL10269155 0.78 WNT3A (0.43) SYKJAK1WNT3ACCNT1CDK9
SCHEMBL902983 0.77 KARS1 (0.64) SYKKITGPR119JAK2GBA1
SCHEMBL902920 0.76 SYK (0.50) MAPTALDH1A1LMNASYKWNT3A
SCHEMBL20564686 0.76 MAPT (0.68) MAPTALDH1A1LMNAMETGPR119
SCHEMBL1705146 0.74 SYK (0.57) MAPTALDH1A1LMNASYKKARS1
SCHEMBL1705093 0.73 KARS1 (0.53) SYKGPR119KARS1
SCHEMBL901842 0.73 KARS1 (0.54) KARS1

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed