SCHEMBL30117444

SCHEMBL30117444

Cc1cc(-c2ncccc2-c2ccc3[nH]nc(C)c3c2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.49
▸ MAP2K4 P45985 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.45
▸ MAPKAPK3 Q16644 1/20 0.45
▸ MAPK6 Q16659 1/20 0.45
▸ WNT1 P04628 3/20 0.44
▸ GRM4 Q14833 2/20 0.44
▸ DYRK1A Q13627 4/20 0.43
▸ KMO O15229 1/20 0.43
▸ LRRK2 Q5S007 2/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ CLK2 P49760 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39

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
SCHEMBL15639794 1.00 TGFBR1 (0.49) TGFBR1MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL15639917 0.90 JAK2 (0.49) TGFBR1MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL15639158 0.83 MAP2K4 (0.49) TGFBR1MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL30117468 0.83 KDR (0.47) TGFBR1DYRK1AKMOLRRK2CLK2
SCHEMBL15639936 0.83 KDR (0.47) TGFBR1DYRK1AKMOLRRK2CLK2
SCHEMBL15639722 0.79 TGFBR1 (0.72) TGFBR1DYRK1ACLK2PIM1DAPK3
SCHEMBL15639315 0.79 KMO (0.46) TGFBR1GRM4DYRK1AKMOLRRK2
SCHEMBL28425052 0.78 TGFBR1 (0.71) TGFBR1DYRK1ACLK2PIM1DAPK3
SCHEMBL15638024 0.77 TGFBR1 (0.46) TGFBR1DYRK1AKMOLRRK2CLK2
SCHEMBL15639813 0.77 TGFBR1 (0.64) TGFBR1FGFR1

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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