SCHEMBL30565302

SCHEMBL30565302

c1ccc2c(-c3ncnc4[nH]cnc34)c3cc(-c4ncnc5[nH]cnc45)ccc3cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ AURKA O14965 2/20 0.32
▸ DAPK3 O43293 2/20 0.32
▸ PRKD3 O94806 2/20 0.32
▸ MAP4K4 O95819 2/20 0.32
▸ PAK4 O96013 2/20 0.32
▸ NTRK1 P04629 2/20 0.32
▸ CSF1R P07333 2/20 0.32
▸ RET P07949 2/20 0.32
▸ IGF1R P08069 2/20 0.32
▸ MET P08581 2/20 0.32
▸ PIM1 P11309 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ PRKACA P17612 2/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ LTK P29376 2/20 0.32
▸ GRK5 P34947 2/20 0.32
▸ KDR P35968 2/20 0.32

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
SCHEMBL16619412 0.74 RPS6KB1 (0.43) AURKASMN1; SMN2AURKBRPS6KB1
SCHEMBL2938674 0.73 JAK2 (0.54) JAK2JAK3PRKD3MAP4K4PAK4
SCHEMBL3917460 0.67 AKT2 (0.65) JAK2PRKACASMN1; SMN2MAPTLMNA
SCHEMBL7027575 0.67 ITK (0.48) AURKARETKDRGSK3BMEN1
SCHEMBL16619167 0.67 RPS6KB1 (0.38) JAK2JAK3AURKADAPK3PRKD3
SCHEMBL18486378 0.66 TOP2A (0.49) MAPK1LIMK1EGFR
SCHEMBL18486229 0.66 PARP1 (0.34) JAK2PIM1HTTSMN1; SMN2MEN1
SCHEMBL27824941 0.65 CYP3A4 (0.61) ALOX5ALDH1A1MAPTNISCH
SCHEMBL4071205 0.65 AKT2 (0.42) JAK2JAK3MAP4K4PRKACARPS6KA3
SCHEMBL3928813 0.65 AKT2 (0.67) MAP4K4PRKACALRRK2CDK8AKT2

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-116675691-A Perylene-based nitrogen-containing organic derivative, modified resin, preparation method, composite material and application 西南科技大学 2023-09-01 — — CN claimed
CN-116675691-A Perylene-based nitrogen-containing organic derivative, modified resin, preparation method, composite material and application 西南科技大学 2023-09-01 — — CN disclosed
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