SCHEMBL29620907

SCHEMBL29620907

N#Cc1ccc(Nc2ncc(-c3ccc(OC(F)(F)F)cn3)o2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.38
IMPDH2 P12268 2/20 0.37
CHEK1 O14757 8/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDR P35968 3/20 0.35
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
DHODH Q02127 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
AR P10275 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 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
SCHEMBL28733613 1.00 MEN1 (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL29620982 0.88 IMPDH2 (0.44) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL28733810 0.88 IMPDH2 (0.44) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL22925932 0.85 CHEK1 (0.39) IMPDH2CHEK1KDRFLT1FLT4
SCHEMBL22925742 0.85 CHEK1 (0.40) IMPDH2CHEK1KDRFLT1FLT4
SCHEMBL29620891 0.85 CHEK1 (0.40) IMPDH2CHEK1KDRFLT1FLT4
SCHEMBL22925918 0.81 VCP (0.44) IMPDH2CHEK1KDRFLT1FLT4
SCHEMBL28939446 0.81 TUBB4A (0.38) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL29620949 0.81 TUBB4A (0.38) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL24636931 0.80 CHEK1 (0.38) IMPDH2CHEK1KDRFLT1FLT4

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed