SCHEMBL28616936

SCHEMBL28616936

Cn1nc2ncc(Br)cc2c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1B Q9Y463 7/20 0.37
▸ DYRK1A Q13627 4/20 0.37
▸ PAK4 O96013 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ GRK5 P34947 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37

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
SCHEMBL26129508 0.73 PAK4 (0.39) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL31368732 0.73 DYRK1B (0.34) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL28619610 0.70 HSD17B10 (0.40) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL31368720 0.69 DYRK1B (0.36) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL30965400 0.69 DYRK1B (0.36) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL30615550 0.63 DYRK1B (0.37) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL30924204 0.63 SPR (0.46) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL6952100 0.63 SPR (0.46) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL31368719 0.62 DYRK1B (0.36) DYRK1BDYRK1APAK4CHEK1AURKA
SCHEMBL22686471 0.62 DYRK1B (0.42) DYRK1BDYRK1APAK4CHEK1AURKA

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-108602799-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2021-08-03 — — CN disclosed
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