SCHEMBL30180924

SCHEMBL30180924

Nc1n[nH]c2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.38
▸ ADORA2A P29274 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ JAK2 O60674 3/20 0.32
▸ PDPK1 O15530 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CCNB2 O95067 2/20 0.31
▸ CDK1 P06493 2/20 0.31
▸ CCNB1 P14635 2/20 0.31
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ CDK5R1 Q15078 2/20 0.31
▸ CCNB3 Q8WWL7 2/20 0.31
▸ RET P07949 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ XDH P47989 1/20 0.30

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
SCHEMBL14763598 1.00 DYRK1A (0.38) DYRK1AADORA2AMAPK1JAK2PDPK1
SCHEMBL6358084 0.75 MAPK1 (0.38) MAPK1
SCHEMBL14906033 0.71 MAPK1 (0.45) MAPK1
SCHEMBL30876173 0.71 MAPK1 (0.35) MAPK1KDM4ECCNB2CDK1CCNB1
SCHEMBL3950985 0.71 PDPK1 (0.38) DYRK1AMAPK1PDPK1CCNB2CDK1
SCHEMBL30316980 0.71 MAPK1 (0.35) MAPK1
SCHEMBL30988525 0.70 MAPK1 (0.46) DYRK1AMAPK1JAK2PDPK1CYP3A4
SCHEMBL12467739 0.69 DYRK1A (0.37) DYRK1AMAPK1PDPK1
SCHEMBL16946863 0.69 DYRK1A (0.37) DYRK1APDPK1GAA
SCHEMBL1495296 0.68 PDPK1 (0.48) PDPK1KDM4ECYP3A4GAAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019735-A Arylsulfonyl compounds as CCR6 inhibitors 坎莫森特里克斯公司 2024-05-10 — — CN disclosed
EP-4114837-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 Bayer Aktiengesellschaft (DE) 2023-01-11 — — EP disclosed
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