SCHEMBL30582544

SCHEMBL30582544

COc1ccc(-c2c(C3=CCC4(CCNCC4)CC3)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.44
▸ ABL1 P00519 4/20 0.41
▸ EGFR P00533 4/20 0.41
▸ ABL2 P42684 3/20 0.41
▸ KDR P35968 5/20 0.40
▸ RIPK2 O43353 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ TEK Q02763 4/20 0.39
▸ LCK P06239 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 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
SCHEMBL26108026 1.00 SRC (0.44) SRCABL1EGFRABL2KDR
SCHEMBL30582584 0.89 SRC (0.47) SRCABL1EGFRABL2KDR
SCHEMBL26106994 0.89 KCNH2 (0.39) SRCABL1EGFRABL2KDR
SCHEMBL26106140 0.89 KIT (0.35) SRCABL1KDRTEKLCK
SCHEMBL30582578 0.89 KIT (0.35) SRCABL1KDRTEKLCK
SCHEMBL30582625 0.89 KCNH2 (0.39) SRCABL1EGFRABL2KDR
SCHEMBL26109072 0.89 SRC (0.47) SRCABL1EGFRABL2KDR
SCHEMBL26106044 0.89 CCNT1 (0.38) SRCABL1EGFRKDRRIPK2
SCHEMBL30582605 0.89 CCNT1 (0.38) SRCABL1EGFRKDRRIPK2
SCHEMBL26107050 0.89 LCK (0.40) SRCEGFRKDRTEKLCK

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
EP-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 — — EP disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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