SCHEMBL16685207

SCHEMBL16685207

CCOC(=O)Oc1cn2cc(N)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
PIK3CA P42336 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
PDE4D Q08499 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL16686972 0.82 KDM4E (0.48) KDM4EPOLBCYP1A2LMNACYP3A4
SCHEMBL7982712 0.81 BCL9 (0.34) KDM4EPOLBRAB9ALMNAPIK3CA
SCHEMBL15418923 0.81 KDM4E (0.39) KDM4EPOLBRAB9ACYP1A2GAA
SCHEMBL15418875 0.80 PIK3CA (0.42) KDM4EPOLBRAB9ALMNAPIK3CA
SCHEMBL16686872 0.80 RAB9A (0.50) KDM4EPOLBRAB9ACYP1A2LMNA
SCHEMBL4031415 0.80 ALDH1A1 (0.53) KDM4EPOLBRAB9ACYP1A2CYP3A4
SCHEMBL15419068 0.79 RAB9A (0.42) KDM4EPOLBRAB9APIK3CAGAA
SCHEMBL15418816 0.79 MAP3K5 (0.48) KDM4EPOLBRAB9ALMNAPIK3CA
SCHEMBL3545619 0.79 KDM4E (0.64) KDM4EPOLBRAB9ACYP1A2LMNA
SCHEMBL15418922 0.77 PIK3CA (0.39) KDM4EPOLBRAB9ALMNAPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063150-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma AG (DE) 2017-11-22 EP disclosed
EP-3063150-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-09-07 EP disclosed
WO-2015063093-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 WO disclosed