SCHEMBL8329356

SCHEMBL8329356

N#Cc1ccccc1Nc1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
LRRK2 Q5S007 3/20 0.46
AURKA O14965 2/20 0.46
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11478901 0.80 LRRK2 (0.57) FLT1FLT4KDRLRRK2AURKA
SCHEMBL4188631 0.79 AURKA (0.59) FLT1FLT4KDRLRRK2AURKA
SCHEMBL30804597 0.78 KDM4E (0.55) FLT1FLT4KDRLRRK2AURKA
SCHEMBL395135 0.78 KDM4E (0.55) FLT1FLT4KDRLRRK2AURKA
SCHEMBL30804592 0.78 KDM4E (0.55) FLT1FLT4KDRLRRK2AURKA
SCHEMBL14005488 0.76 TAS2R14 (0.43) FLT1FLT4KDRLRRK2AURKA
SCHEMBL14031046 0.76 HPGD (0.43) FLT1FLT4KDRLRRK2AURKA
SCHEMBL16481161 0.74 KDM4E (0.49) KDRLRRK2AURKAKDM4EGAA
SCHEMBL24681745 0.73 KDR (0.51) FLT1FLT4KDRLRRK2AURKA
SCHEMBL4193666 0.73 KDM4E (0.62) FLT1FLT4KDRLRRK2AURKA

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
EP-0640595-B1 SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-03-24 EP disclosed
CN-1039228-C Novel substituted tert-amino compund YAMANOUCHI PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5538976-A ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
EP-0640595-A1 NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-01 EP disclosed
CN-1079962-A New substituted tertiary amine compound and salt thereof YAMANOUCHI PHARMA CO LTD (JP) 1993-12-29 CN disclosed