SCHEMBL6433993

SCHEMBL6433993

COc1cc2c(=O)cc[nH]c2cc1OCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.56
MAPK1 P28482 2/20 0.53
EGFR P00533 5/20 0.51
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CHEK1 O14757 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAD52 P43351 1/20 0.48
RCE1 Q9Y256 1/20 0.48
KDR P35968 3/20 0.48
KDM1A O60341 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
ABCC4 O15439 1/20 0.47
DAPK3 O43293 1/20 0.47
RIPK2 O43353 1/20 0.47

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
SCHEMBL6431234 0.90 EHMT2 (0.53) HRH3
SCHEMBL6431463 0.83 SIGMAR1 (0.44) SRCEGFRCYP2D6KDM4EABL1
SCHEMBL28431957 0.83 KDM4E (0.53) SRCMAPK1EGFRCYP2D6TSHR
SCHEMBL1734718 0.83 KDM4E (0.53) SRCMAPK1EGFRCYP2D6TSHR
Hydrochloric Acid SCHEMBL4378498 0.82 KDM4E (0.52) SRCMAPK1EGFRCYP2D6TSHR
SCHEMBL29842783 0.80 IMPDH2 (0.48) MAPK1KDM4EALDH1A1MAPT
SCHEMBL16207483 0.80 IMPDH2 (0.48) MAPK1KDM4EALDH1A1MAPT
SCHEMBL7095054 0.80 SYK (0.53) SRCCYP2D6TSHRCHEK1KIT
Morpholine SCHEMBL28781118 0.80 IMPDH2 (0.43) SRCMAPK1KDM4ERCE1RET
SCHEMBL7291390 0.79 PDE3B (0.51) MAPK1KDM4EALDH1A1LMNAMAPT

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-111440177-B Substituted pyrazolo [1,5-a ] pyrimidine compound and preparation method and application thereof 辽宁大学 2022-06-14 CN disclosed
EP-0929526-B1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6809097-B1 ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY ZENECA LIMITED (GB) 2004-10-26 US disclosed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO disclosed