SCHEMBL28019407

SCHEMBL28019407

Cc1ccc(-c2ncccc2-c2ccc3c(=O)nc[nH]c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 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
▸ TGFBR1 P36897 3/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ QPCTL Q9NXS2 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.35
▸ FEN1 P39748 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34

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
SCHEMBL28019403 0.90 ACVR1 (0.42) ACVR1KMOPTGS1PTGS2L3MBTL1
SCHEMBL15640109 0.90 MAPK14 (0.43) ACVR1KMOPTGS1PTGS2TGFBR1
SCHEMBL28019408 0.87 TRPV1 (0.39) ACVR1KMOPTGS1PTGS2TGFBR1
SCHEMBL15638787 0.85 KMO (0.46) ACVR1KMOTGFBR1TDO2PRMT5
SCHEMBL15637987 0.80 MAPK14 (0.43) ACVR1KMOPTGS1PTGS2TGFBR1
SCHEMBL15640075 0.79 ACVR1 (0.37) ACVR1KMOTGFBR1QPCTQPCTL
SCHEMBL28019404 0.77 ACVR1 (0.41) ACVR1KMOTGFBR1PRMT5WDR77
SCHEMBL15639315 0.76 KMO (0.46) ACVR1KMOTGFBR1PRMT5WDR77
SCHEMBL29638516 0.75 PARP1 (0.54) CHEK1PARP1PIM1RPS6KA3
SCHEMBL13003705 0.75 PARP1 (0.54) CHEK1PARP1PIM1RPS6KA3

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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