SCHEMBL28517068

SCHEMBL28517068

NC(=O)OCc1cn(Cc2ccc(C(F)(F)F)nc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
CPB1 P15086 1/20 0.37
KCNH2 Q12809 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MGLL Q99685 1/20 0.35
NR1H2 P55055 1/20 0.35
MAOB P27338 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GRM2 Q14416 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL28532124 0.81 PPARD (0.39) PPARDKCNH2GPR119KCNQ3KCNQ2
SCHEMBL30744362 0.80 TRPV4 (0.37) PPARDCPB1KCNH2GPR119MAOB
SCHEMBL21491764 0.80 TRPV4 (0.37) PPARDCPB1KCNH2GPR119MAOB
SCHEMBL21492711 0.79 PPARD (0.42) PPARDKCNH2KCNQ3KCNQ2KCNQ4
SCHEMBL21503621 0.76 CA1 (0.42) PPARDKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL30057190 0.76 CA1 (0.42) PPARDKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL28908750 0.70 GCGR (0.40) PPARDKCNH2GPR119MRGPRX4
SCHEMBL24208607 0.69 CPB1 (0.39) PPARDCPB1KCNH2GPR119MGLL
SCHEMBL21492945 0.69 CYP11B1 (0.36) PPARDKCNH2MAOBGRM2
SCHEMBL28524266 0.69 CYP2C19 (0.38) PPARDKCNH2MAOBJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN disclosed