SCHEMBL30117442

SCHEMBL30117442

c1cc(-c2ncccc2-c2cnc3[nH]ncc3c2)cc(C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ PIK3C3 Q8NEB9 3/20 0.40
▸ NOTUM Q6P988 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ ROCK2 O75116 3/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ FES P07332 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KB1 P23443 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
SCHEMBL15639216 1.00 TGFBR1 (0.41) TGFBR1KCNH2PIK3C3NOTUMLRRK2
SCHEMBL15639201 0.96 TGFBR1 (0.40) TGFBR1KCNH2PIK3C3NOTUMLRRK2
SCHEMBL22753045 0.86 TGFBR1 (0.38) TGFBR1KCNH2PIK3C3LRRK2PIK3CA
SCHEMBL30117430 0.85 TGFBR1 (0.58) TGFBR1ROCK2AKT1PIM1GSK3B
SCHEMBL15639428 0.85 TGFBR1 (0.58) TGFBR1ROCK2AKT1PIM1GSK3B
SCHEMBL15639535 0.82 GSK3B (0.44) TGFBR1PIK3C3ROCK2AKT1PIM1
SCHEMBL15639548 0.81 TGFBR1 (0.44) TGFBR1PIK3C3AKT1CDK2PIK3CA
SCHEMBL15640001 0.81 RIPK1 (0.44) TGFBR1PIK3C3AKT1PIM1GSK3B
SCHEMBL30117454 0.81 RIPK1 (0.44) TGFBR1PIK3C3AKT1PIM1GSK3B
SCHEMBL15639938 0.79 TGFBR1 (0.39) TGFBR1PIK3C3ROCK2AKT1PIM1

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
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP claimed
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