SCHEMBL28612472

SCHEMBL28612472

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.47
JAK2 O60674 5/20 0.47
JAK1 P23458 4/20 0.47
DDR2 Q16832 6/20 0.45
FLT4 P35916 4/20 0.44
TBK1 Q9UHD2 1/20 0.44
NUAK1 O60285 2/20 0.44
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.42
AURKC Q9UQB9 1/20 0.42

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
SCHEMBL22089903 1.00 JAK3 (0.47) JAK3JAK2JAK1DDR2FLT4
SCHEMBL29942016 1.00 JAK3 (0.47) JAK3JAK2JAK1DDR2FLT4
SCHEMBL28611306 0.95 JAK3 (0.49) JAK3JAK2JAK1DDR2KDR
SCHEMBL22089666 0.95 JAK3 (0.49) JAK3JAK2JAK1DDR2KDR
SCHEMBL29942144 0.95 JAK3 (0.49) JAK3JAK2JAK1DDR2KDR
SCHEMBL22097838 0.94 JAK3 (0.46) JAK3JAK2JAK1DDR2FLT4
SCHEMBL29249000 0.94 JAK3 (0.46) JAK3JAK2JAK1DDR2FLT4
SCHEMBL28605842 0.92 DDR2 (0.47) JAK3JAK1DDR2FLT4NUAK1
SCHEMBL22089916 0.92 FLT4 (0.51) JAK3JAK2JAK1DDR2FLT4
SCHEMBL28617756 0.92 FLT4 (0.51) JAK3JAK2JAK1DDR2FLT4

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-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN claimed
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
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed