SCHEMBL19817535

SCHEMBL19817535

Cc1cc(-c2ncccc2-c2ccc3c(=O)cn[nH]c3c2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 6/20 0.51
▸ KMO O15229 1/20 0.45
▸ MAPK14 Q16539 1/20 0.41
▸ METAP2 P50579 3/20 0.40
▸ TNKS O95271 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL15639813 0.84 TGFBR1 (0.64) TGFBR1TRPA1
SCHEMBL15639722 0.82 TGFBR1 (0.72) TGFBR1TRPA1
SCHEMBL30117468 0.81 KDR (0.47) TGFBR1KMOFEN1
SCHEMBL15639936 0.81 KDR (0.47) TGFBR1KMOFEN1
SCHEMBL28425052 0.81 TGFBR1 (0.71) TGFBR1TRPA1
SCHEMBL15639521 0.81 TGFBR1 (0.51) TGFBR1KMOGRIN1GRIN2BTRPA1
SCHEMBL30117390 0.81 TGFBR1 (0.51) TGFBR1KMOGRIN1GRIN2BTRPA1
SCHEMBL15638787 0.80 KMO (0.46) TGFBR1KMOTNKSTNKS2GRIN1
SCHEMBL15639087 0.78 TGFBR1 (0.57) TGFBR1TRPV1TRPA1
SCHEMBL30117452 0.78 TGFBR1 (0.57) TGFBR1TRPV1TRPA1

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
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 — — US disclosed
Send feedback