SCHEMBL2442988

SCHEMBL2442988

COCCOCOc1c(Nc2ccc(OC)cn2)cccc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 6/20 0.41
▸ TYK2 P29597 6/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ TP53 P04637 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
SCHEMBL13010894 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL2446775 0.81 TYK2 (0.40) JAK1TYK2JAK2KITKCNH2
SCHEMBL2443393 0.78 CXCR2 (0.49) JAK1TYK2JAK2KITKCNH2
SCHEMBL1549107 0.78 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1496808 0.73 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1613189 0.70 NPC1 (0.42) JAK1TYK2ALDH1A1MEN1KMT2A
SCHEMBL1496779 0.69 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1549508 0.69 CLCN2 (0.49) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6043188 0.69 HDAC3 (0.59) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL16735377 0.68 MAPT (0.50) MAPTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627652-B1 PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAE WOONG PHARMA (KR) 2015-12-16 — — EP disclosed
EP-2627652-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF Daewoong Pharmaceutical Co., Ltd (KR) 2013-08-21 — — EP disclosed
WO-2012050380-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-04-19 — — WO disclosed
US-8026235-B1 Pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-09-27 — — US disclosed
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