SCHEMBL19817532

SCHEMBL19817532

O=c1cn[nH]c2cc(-c3cccnc3-c3cccc(C4CC4)c3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ BTK Q06187 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ ACVR1 Q04771 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ METAP2 P50579 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ NMT1 P30419 1/20 0.33

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
SCHEMBL30117430 0.83 TGFBR1 (0.58) TGFBR1
SCHEMBL15639428 0.83 TGFBR1 (0.58) TGFBR1
SCHEMBL15640075 0.80 ACVR1 (0.37) TGFBR1NOTUMKCNH2LRRK2ACVR1
SCHEMBL19817535 0.77 TGFBR1 (0.51) TGFBR1METAP2GRIN1GRIN2BKMO
SCHEMBL15638472 0.76 ACVR1 (0.39) TGFBR1NOTUMKCNH2LRRK2ACVR1
SCHEMBL30117442 0.75 TGFBR1 (0.41) TGFBR1NOTUMKCNH2LRRK2ABL1
SCHEMBL15638995 0.75 QPCT (0.47) TGFBR1LRRK2ACVR1
SCHEMBL15639216 0.75 TGFBR1 (0.41) TGFBR1NOTUMKCNH2LRRK2ABL1
SCHEMBL15638873 0.73 TGFBR1 (0.52) TGFBR1NOTUMKCNH2NMT1
SCHEMBL28019359 0.73 KCNH2 (0.46) NOTUMKCNH2NMT1

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
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