SCHEMBL14852149

SCHEMBL14852149

O=Cc1ccc(-c2cnc3ccc(Br)cn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
MTOR P42345 2/20 0.48
MAP3K14 Q99558 1/20 0.48
KCNH2 Q12809 1/20 0.40
FLT3 P36888 2/20 0.40
FYN P06241 4/20 0.37
MKNK1 Q9BUB5 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDR P35968 1/20 0.36
ADORA2A P29274 1/20 0.35
CHEK1 O14757 1/20 0.35
GSK3B P49841 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
SCHEMBL14852518 0.83 DYRK1A (0.56) PIK3CAMTORMAP3K14KCNH2FLT3
SCHEMBL26178953 0.80 KDR (0.53) PIK3CAMTORMAP3K14KCNH2FLT3
SCHEMBL15756786 0.80 FLT3 (0.59) PIK3CAMTORMAP3K14FLT3FYN
SCHEMBL15288131 0.80 FYN (0.55) PIK3CAMTORMAP3K14KCNH2FLT3
SCHEMBL15756965 0.79 MAP3K14 (0.54) PIK3CAMTORMAP3K14KCNH2FLT3
SCHEMBL4253251 0.79 CHEK1 (0.50) PIK3CAMTORKCNH2FYNMKNK1
SCHEMBL20146927 0.78 MKNK1 (0.57) PIK3CAMTORKCNH2FLT3FYN
SCHEMBL3847512 0.78 MKNK1 (0.51) PIK3CAMTORMAP3K14FYNMKNK1
SCHEMBL4254179 0.78 MAP3K14 (0.56) PIK3CAMTORMAP3K14FLT3FYN
SCHEMBL3846712 0.77 MKNK1 (0.61) PIK3CAMTORMAP3K14FYNMKNK1

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-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed