SCHEMBL29620873

SCHEMBL29620873

N#Cc1ccc(Nc2ncc(-c3ncc(C(F)(F)F)cn3)o2)cn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.40
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
IMPDH2 P12268 1/20 0.36

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
SCHEMBL24636881 1.00 CHEK1 (0.40) CHEK1FLT1FLT4KDRSCN10A
SCHEMBL22925932 0.86 CHEK1 (0.39) CHEK1FLT1FLT4KDRSCN10A
SCHEMBL22925496 0.86 TRPV1 (0.47) CHEK1FLT1FLT4KDRIMPDH2
SCHEMBL29620967 0.86 TRPV1 (0.47) CHEK1FLT1FLT4KDRIMPDH2
SCHEMBL22925931 0.84 CHEK1 (0.41) CHEK1FLT1FLT4KDRIMPDH2
SCHEMBL22926094 0.79 CHEK1 (0.43) CHEK1FLT1FLT4KDRIMPDH2
SCHEMBL29621006 0.78 CHEK1 (0.38) CHEK1FLT1FLT4KDRIMPDH2
SCHEMBL24636931 0.78 CHEK1 (0.38) CHEK1FLT1FLT4KDRIMPDH2
SCHEMBL28733810 0.77 IMPDH2 (0.44) CHEK1FLT1FLT4KDRIMPDH2
SCHEMBL29620982 0.77 IMPDH2 (0.44) CHEK1FLT1FLT4KDRIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
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