SCHEMBL4047602

SCHEMBL4047602

c1cc(-c2cc3ncc4c(n3n2)CCC2(C4)OCCO2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.39
KDR P35968 3/20 0.38
FYN P06241 6/20 0.36
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HCRTR1 O43613 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RCE1 Q9Y256 1/20 0.34

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
SCHEMBL4047970 0.76
SCHEMBL4054138 0.74 ALDH1A1 (0.37) DYRK1AMAPTALDH1A1HSD17B10KDM4E
SCHEMBL4052889 0.72 BRAF (0.47) FYN
SCHEMBL3222358 0.67 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAGAA
SCHEMBL13424040 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9533828 0.63 PLK1 (0.33)
SCHEMBL29792943 0.61 FYN (0.50) KDRFYNMAPTALDH1A1HSD17B10
SCHEMBL12643612 0.60 HDAC9 (0.34)
SCHEMBL629922 0.59 TBK1 (0.39) MAPTALDH1A1HSD17B10KDM4ETSHR
SCHEMBL14557173 0.58 LMNA (0.43) DYRK1AKDRFYNMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108827-A1 FUSED TRICYCLIC PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed