SCHEMBL22860434

SCHEMBL22860434

CSc1ncc(C=O)c(N[C@H]2C[C@@H]3CC[C@H]2C3)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ GABBR2 O75899 12/20 0.40
▸ GABBR1 Q9UBS5 12/20 0.40
▸ KDR P35968 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ PDGFRB P09619 3/20 0.40
▸ PDGFRA P16234 3/20 0.40
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL23823258 1.00 JAK2 (0.43) JAK2JAK1GABBR2GABBR1KDR
SCHEMBL30517136 0.81 LATS1 (0.40) JAK2JAK1GABBR2GABBR1JAK3
SCHEMBL19857362 0.81 LATS1 (0.40) JAK2JAK1GABBR2GABBR1JAK3
SCHEMBL19857319 0.81 LATS1 (0.40) JAK2JAK1GABBR2GABBR1JAK3
SCHEMBL3975172 0.80 GABBR2 (0.44) JAK2JAK1GABBR2GABBR1KDR
SCHEMBL4717413 0.80 GABBR2 (0.42) JAK2JAK1GABBR2GABBR1KDR
SCHEMBL3971399 0.80 GABBR2 (0.40) JAK2JAK1GABBR2GABBR1KDR
SCHEMBL22860432 0.80 GABBR2 (0.42) JAK2JAK1GABBR2GABBR1KDR
SCHEMBL25003605 0.79 RAB9A (0.39) JAK2JAK1GABBR2GABBR1PDGFRB
SCHEMBL3535605 0.79 MERTK (0.48) JAK2JAK1GABBR2GABBR1JAK3

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
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 — — EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 — — CN disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 — — WO disclosed
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