SCHEMBL29249000

SCHEMBL29249000

CCCC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.46
JAK1 P23458 5/20 0.46
JAK2 O60674 6/20 0.46
FLT4 P35916 5/20 0.43
DDR2 Q16832 4/20 0.42
KDR P35968 2/20 0.42
TBK1 Q9UHD2 1/20 0.42
NUAK1 O60285 2/20 0.41

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
SCHEMBL22097838 1.00 JAK3 (0.46) JAK3JAK1JAK2FLT4DDR2
SCHEMBL29941751 0.95 JAK3 (0.48) JAK3JAK1JAK2DDR2KDR
SCHEMBL22089917 0.95 JAK3 (0.48) JAK3JAK1JAK2DDR2KDR
SCHEMBL28603763 0.95 JAK3 (0.48) JAK3JAK1JAK2DDR2KDR
SCHEMBL29942016 0.94 JAK3 (0.47) JAK3JAK1JAK2FLT4DDR2
SCHEMBL28612472 0.94 JAK3 (0.47) JAK3JAK1JAK2FLT4DDR2
SCHEMBL22089903 0.94 JAK3 (0.47) JAK3JAK1JAK2FLT4DDR2
SCHEMBL28919423 0.92 DDR2 (0.46) JAK3JAK1FLT4DDR2KDR
SCHEMBL22090270 0.91 JAK3 (0.49) JAK3JAK1JAK2FLT4DDR2
SCHEMBL28603956 0.91 JAK3 (0.49) JAK3JAK1JAK2FLT4DDR2

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
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed