SCHEMBL28401502

SCHEMBL28401502

C[C@@H]1CCNC[C@@H]1N(C)c1ncnc2[nH]ncc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ CSF1R P07333 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGDS O60760 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ PDPK1 O15530 1/20 0.38

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
SCHEMBL17545975 0.84 CHEK1 (0.56) JAK3CHEK1AURKACSF1RL3MBTL1
SCHEMBL17545980 0.84 CHEK1 (0.56) JAK3CHEK1AURKACSF1RL3MBTL1
SCHEMBL18134011 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL28412373 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL29216398 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL11949307 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL1120755 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL19757378 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL18124371 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2
SCHEMBL29678116 0.81 JAK3 (0.72) JAK3JAK1JAK2TYK2

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-105732637-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 — — CN disclosed
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