SCHEMBL28019403

SCHEMBL28019403

Cc1ccc(-c2ncccc2-c2ccc3[nH]cnc(=O)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 4/20 0.42
▸ TGFBR1 P36897 6/20 0.39
▸ KMO O15229 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ COMT P21964 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL28019407 0.90 ACVR1 (0.39) ACVR1TGFBR1KMOPTGS1PTGS2
SCHEMBL15637987 0.90 MAPK14 (0.43) ACVR1TGFBR1KMOPTGS1PTGS2
SCHEMBL28019404 0.87 ACVR1 (0.41) ACVR1TGFBR1KMOPRMT5WDR77
SCHEMBL15639315 0.85 KMO (0.46) ACVR1TGFBR1KMOPRMT5WDR77
SCHEMBL15638657 0.82 IDO1 (0.42) ACVR1TGFBR1KMO
SCHEMBL15637769 0.81 KMO (0.48) ACVR1TGFBR1KMOPTGS1PTGS2
SCHEMBL15640109 0.80 MAPK14 (0.43) ACVR1TGFBR1KMOPTGS1PTGS2
SCHEMBL15638472 0.79 ACVR1 (0.39) ACVR1TGFBR1KMO
SCHEMBL28019408 0.77 TRPV1 (0.39) ACVR1TGFBR1KMOPTGS1PTGS2
SCHEMBL15638787 0.76 KMO (0.46) ACVR1TGFBR1KMOPRMT5WDR77

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
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 — — CN disclosed
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