SCHEMBL4706469

SCHEMBL4706469

c1ccc2c(c1)cnn2-n1cnc2cncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 15/20 0.35
CYP2C19 P33261 12/20 0.35
CYP2C9 P11712 11/20 0.35
ALDH1A1 P00352 11/20 0.35
CYP3A4 P08684 10/20 0.35
TSHR P16473 8/20 0.35
LMNA P02545 5/20 0.35
MEN1 O00255 3/20 0.35
HBB P68871 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 4/20 0.35
CLK4 Q9HAZ1 3/20 0.35
USP2 O75604 8/20 0.34
MAPK1 P28482 2/20 0.34
CYP2D6 P10635 4/20 0.33
FDPS P14324 1/20 0.33
RECQL P46063 1/20 0.33
CASP1 P29466 1/20 0.32

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
SCHEMBL369486 0.77 TDP1 (0.41) LTA4HEGFRCYP1A2CYP2C19CYP2C9
SCHEMBL2120550 0.74 FDPS (0.45) LTA4HEGFRCYP1A2CYP2C19CYP2C9
SCHEMBL28340215 0.72 FDPS (0.44) LTA4HEGFRCYP1A2CYP2C19CYP2C9
SCHEMBL6055010 0.68 FDPS (0.39) LTA4HCYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL27783128 0.68 FDPS (0.39) LTA4HEGFRCYP1A2CYP2C19CYP2C9
SCHEMBL27714206 0.67 FDPS (0.38) LTA4HCYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL6434260 0.67 FDPS (0.35) LTA4HEGFRCYP1A2CYP2C19CYP2C9
SCHEMBL28618108 0.66 RECQL (0.41) CYP1A2TSHRKMT2ARECQL
SCHEMBL27734755 0.66 FDPS (0.40) LTA4HCYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL7797362 0.66 FDPS (0.37) LTA4HCYP1A2CYP2C19CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105810837-A Organic light-emitting device 三星显示有限公司 2016-07-27 CN claimed
CN-105777558-A Compound, organic light-emitting device including the same, and flat-panel display 三星显示有限公司 2016-07-20 CN claimed
CN-103435546-B Process for preparing isoquinoline compounds 菲布罗根有限公司 2016-08-10 CN disclosed
CN-105820103-A N-benzoyloxy-substituted benzopyrroline-2-ketones derivative and application thereof 北京韩美药品有限公司 2016-08-03 CN disclosed
CN-105814019-A Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2016-07-27 CN disclosed
CN-105810837-A Organic light-emitting device 三星显示有限公司 2016-07-27 CN disclosed
CN-105777558-A Compound, organic light-emitting device including the same, and flat-panel display 三星显示有限公司 2016-07-20 CN disclosed
CN-105732643-A Conjugate and preparation method thereof and application to preparation of IDO enzyme inhibitor and non-steroidal anti-inflammatory drugs 苏州大学 2016-07-06 CN disclosed
CN-104011147-B Novel heterocyclic fluorescent dye and preparation method thereof 巴斯夫欧洲公司 2016-07-06 CN disclosed
CN-105732562-A COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE COMPOUND, AND PANEL DISLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING DEVICE 三星显示有限公司 2016-07-06 CN disclosed
CN-105732658-A Compound, organic light-emitting device including the same and flat display apparatus 三星显示有限公司 2016-07-06 CN disclosed
CN-101384557-A Substituted imidazoline derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN disclosed
EP-1979356-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed