SCHEMBL16294607

SCHEMBL16294607

COc1ccc(-c2c(C=O)[nH]c3ccncc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
CHUK O15111 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
TLR3 O15455 1/20 0.40
NR3C1 P04150 1/20 0.40
POLB P06746 1/20 0.40
KIT P10721 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL16295995 0.90 CHUK (0.50) ACHECHUKMAPK14MAPK13MAPK12
SCHEMBL16294627 0.82 MAPK14 (0.45) ACHEPDE3BPDE3AMAPK14MAPT
SCHEMBL16294674 0.82 ACHE (0.47) ACHECHUKMAPK14MAPTKDM4E
SCHEMBL4135200 0.81 ACHE (0.56) ACHECHUKPDE3BPDE3AMAPK14
SCHEMBL5159528 0.76 KDM4E (0.56) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL16305433 0.73 PREP (0.38) CHUKMAPK14MAPK13MAPK12MAPK11
SCHEMBL16294882 0.71 MAP2 (0.58) CHUKKDM4EALDH1A1HPGDRAB9A
SCHEMBL30667681 0.70 ACHE (0.79) ACHECHUKMAPK14MAPK13MAPK12
SCHEMBL27098859 0.70 ACHE (0.79) ACHECHUKMAPK14MAPK13MAPK12
SCHEMBL4140165 0.68 PTGS1 (0.56) ACHECHUKMAPTKDM4EALDH1A1

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
WO-2014198844-A1 PROTEIN KINASE INHIBITORS LYTIX BIOPHARMA AS (NO) 2014-12-18 WO disclosed
WO-2014198848-A2 COMPOUNDS LYTIX BIOPHARMA AS (NO) 2014-12-18 WO disclosed