SCHEMBL30117430

SCHEMBL30117430

c1cc(-c2ncccc2-c2ccc3[nH]ncc3c2)cc(C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.58
▸ TRPA1 O75762 11/20 0.46
▸ GSK3B P49841 3/20 0.46
▸ ROCK2 O75116 3/20 0.46
▸ PIM1 P11309 3/20 0.46
▸ CDK5 Q00535 3/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ DYRK3 O43781 2/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ DAPK3 O43293 2/20 0.46
▸ PRKCG P05129 2/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ PRKACA P17612 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ AKT1 P31749 2/20 0.46
▸ AKT2 P31751 2/20 0.46
▸ CSNK1D P48730 2/20 0.46
▸ GSK3A P49840 2/20 0.46

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
SCHEMBL15639428 1.00 TGFBR1 (0.58) TGFBR1TRPA1GSK3BROCK2PIM1
SCHEMBL15640023 0.86 TGFBR1 (0.70) TGFBR1TRPA1GSK3BROCK2PIM1
SCHEMBL15639216 0.85 TGFBR1 (0.41) TGFBR1GSK3BROCK2PIM1CDK5
SCHEMBL30117442 0.85 TGFBR1 (0.41) TGFBR1GSK3BROCK2PIM1CDK5
SCHEMBL15638173 0.85 ROCK2 (0.43) TGFBR1TRPA1GSK3BROCK2PIM1
SCHEMBL15637893 0.83 CDK5 (0.44) TGFBR1TRPA1GSK3BROCK2PIM1
SCHEMBL19817532 0.83 TGFBR1 (0.40) TGFBR1
SCHEMBL15638757 0.83 TGFBR1 (0.61) TGFBR1TRPA1GSK3BROCK2PIM1
SCHEMBL15639308 0.81 TGFBR1 (0.60) TGFBR1TRPA1GSK3BROCK2PIM1
SCHEMBL15639248 0.81 TGFBR1 (0.60) TGFBR1TRPA1GSK3BROCK2PIM1

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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