SCHEMBL6436602

SCHEMBL6436602

CC(C)(C)OC(=O)NNc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.60
RAB9A P51151 7/20 0.52
NPC1 O15118 5/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
P2RX7 Q99572 1/20 0.47
TSHR P16473 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL29457342 0.84 NAMPT (0.80) NAMPTRAB9ANPC1CYP3A4CYP1A2
SCHEMBL349933 0.84 NAMPT (0.80) NAMPTRAB9ANPC1CYP3A4CYP1A2
SCHEMBL27532876 0.84 KDM4E (0.51) NAMPTRAB9ANPC1KMT2AP2RX7
SCHEMBL27658590 0.81 CYP17A1 (0.50) NAMPTRAB9ANPC1MEN1GAA
SCHEMBL4254852 0.80 GAA (0.60) RAB9ANPC1MEN1GAAKMT2A
SCHEMBL19318495 0.80 TSHR (0.58) NAMPTRAB9ANPC1GAAP2RX7
SCHEMBL22770010 0.79 GAA (0.46) NAMPTRAB9ANPC1MEN1GAA
SCHEMBL6260359 0.77 NAMPT (0.69) NAMPTRAB9ANPC1CYP3A4CYP1A2
SCHEMBL7088891 0.77 NAMPT (0.55) NAMPTRAB9AGAASMN1; SMN2LMNA
SCHEMBL19322921 0.77 CYP3A4 (0.60) NAMPTRAB9ANPC1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942575-A Pyrrolopyridine as kinase inhibitor 阵列生物制药公司 2019-06-28 CN disclosed
CN-104926810-B Pyrrolopyridine as kinase inhibitor 阵列生物制药公司 2019-02-19 CN disclosed
CN-102307871-A Isoindolinone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2012-01-04 CN disclosed
CN-101855222-A Imidazol (1,2-A)pyridines and related compounds with activity at cannabinoid CB2 receptors GE HEALTHCARE LTD 2010-10-06 CN disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed