SCHEMBL28938263

SCHEMBL28938263

C[C@H](NC(=O)c1n[nH]c(-c2cccc(-c3ncc(C(=O)O)o3)c2)n1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ MDM2 Q00987 10/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ LDHB P07195 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ NTRK1 P04629 1/20 0.34

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
SCHEMBL29452801 1.00 JAK2 (0.36) JAK2JAK1JAK3MDM2IDO1
SCHEMBL28938265 1.00 JAK2 (0.36) JAK2JAK1JAK3MDM2IDO1
SCHEMBL23041380 0.95 MME (0.36) JAK2JAK1JAK3MDM2IDO1
SCHEMBL23041379 0.95 MME (0.36) JAK2JAK1JAK3MDM2IDO1
SCHEMBL23042014 0.84 ADORA3 (0.47) ADORA3ADORA2A
SCHEMBL28721845 0.83 RIPK1 (0.36) JAK2JAK1JAK3MDM2IDO1
SCHEMBL29452821 0.83 RIPK1 (0.36) JAK2JAK1JAK3MDM2IDO1
SCHEMBL29452642 0.83 PRKD1 (0.37) JAK2JAK1JAK3IDO1RIPK1
SCHEMBL28724377 0.83 PRKD1 (0.37) JAK2JAK1JAK3IDO1RIPK1
SCHEMBL28724388 0.83 PRKD1 (0.37) JAK2JAK1JAK3IDO1RIPK1

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-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN disclosed
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