SCHEMBL29421618

SCHEMBL29421618

Nc1nc(N)c2[nH]ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.44
▸ GDA Q9Y2T3 1/20 0.44
▸ DCPS Q96C86 1/20 0.42
▸ REN P00797 1/20 0.40
▸ DHFR P00374 2/20 0.37
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL17223741 1.00 PDPK1 (0.44) PDPK1GDADCPSRENDHFR
SCHEMBL4106056 0.79 DYRK1A (0.50) DYRK1A
SCHEMBL4872319 0.79 DYRK1A (0.33) PDPK1DCPSRENDHFRDYRK1A
SCHEMBL23889230 0.79 DYRK1A (0.33) DCPSRENDHFRDYRK1A
SCHEMBL4838531 0.79 DYRK1A (0.41) DYRK1A
SCHEMBL24175031 0.79 NPY5R (0.46) RENDYRK1A
SCHEMBL20274839 0.79 REN (0.41) PDPK1GDADCPSRENDHFR
SCHEMBL21727172 0.75 DYRK1A (0.31) RENDYRK1A
SCHEMBL31745118 0.75 PIK3CA (0.31) DYRK1A
SCHEMBL18194317 0.75 CHUK (0.40) RENDHFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269749-B 5H-pyrrolo [3,2-d ] pyrimidine-2, 4-diamino compounds and antibody conjugates thereof 苏特罗生物制药公司 2024-10-01 — — CN disclosed
EP-4217348-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BeiGene, Ltd. (KY) 2023-08-02 — — EP disclosed
CN-114269749-A 5H-pyrrolo [3,2-d ] pyrimidine-2, 4-diamino compounds and antibody conjugates thereof 苏特罗生物制药公司 2022-04-01 — — CN disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 — — WO disclosed
CN-114206392-A Immunomodulatory agent antibody drug conjugates and uses thereof 苏特罗生物制药公司 2022-03-18 — — CN disclosed
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