SCHEMBL28019404

SCHEMBL28019404

Cc1ccccc1-c1ncccc1-c1ccc2[nH]cnc(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 3/20 0.41
▸ TGFBR1 P36897 3/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ WNT1 P04628 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ PTPN13 Q12923 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ QPCT Q16769 1/20 0.35
▸ QPCTL Q9NXS2 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 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
SCHEMBL28019408 0.91 TRPV1 (0.39) ACVR1TGFBR1TRPA1PRMT5WDR77
SCHEMBL28019403 0.87 ACVR1 (0.42) ACVR1TGFBR1PRMT5WDR77KMO
SCHEMBL15639315 0.84 KMO (0.46) ACVR1TGFBR1PRMT5WDR77PIM1
SCHEMBL15637987 0.84 MAPK14 (0.43) ACVR1TGFBR1KMOCLK4ALDH1A1
SCHEMBL15638657 0.79 IDO1 (0.42) ACVR1TGFBR1KMO
SCHEMBL15637769 0.77 KMO (0.48) ACVR1TGFBR1KMO
SCHEMBL28019407 0.77 ACVR1 (0.39) ACVR1TGFBR1PRMT5WDR77PIM1
SCHEMBL15638472 0.76 ACVR1 (0.39) ACVR1TGFBR1PIM1PIM3PIM2
SCHEMBL15638787 0.75 KMO (0.46) ACVR1TGFBR1PRMT5WDR77PIM1
SCHEMBL15640109 0.74 MAPK14 (0.43) ACVR1TGFBR1KMOCLK4ALDH1A1

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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