SCHEMBL28919837

SCHEMBL28919837

Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(=O)NC(C)C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ JAK2 O60674 4/20 0.47
▸ FLT4 P35916 4/20 0.47
▸ DDR2 Q16832 6/20 0.46
▸ TBK1 Q9UHD2 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ NUAK1 O60285 2/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CDK6 Q00534 1/20 0.44

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
SCHEMBL22089923 1.00 JAK3 (0.48) JAK3JAK1JAK2FLT4DDR2
SCHEMBL29941940 1.00 JAK3 (0.48) JAK3JAK1JAK2FLT4DDR2
SCHEMBL22089894 0.94 DDR2 (0.51) JAK3JAK1JAK2DDR2
SCHEMBL29941768 0.94 DDR2 (0.51) JAK3JAK1JAK2DDR2
SCHEMBL28618372 0.94 DDR2 (0.51) JAK3JAK1JAK2DDR2
SCHEMBL24853534 0.93 JAK3 (0.46) JAK3JAK1JAK2FLT4DDR2
SCHEMBL29249034 0.93 JAK3 (0.46) JAK3JAK1JAK2FLT4DDR2
SCHEMBL22089915 0.92 FLT4 (0.52) JAK3JAK1JAK2FLT4DDR2
SCHEMBL28606111 0.92 FLT4 (0.52) JAK3JAK1JAK2FLT4DDR2
SCHEMBL22097854 0.92 JAK2 (0.48) JAK3JAK1JAK2DDR2KDR

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
Send feedback