SCHEMBL19657302

SCHEMBL19657302

CNC(=O)c1cnc2ccc(C)nn12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 12/20 0.47
▸ CLK1 P49759 1/20 0.45
▸ FYN P06241 3/20 0.41
▸ CREBBP Q92793 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL15254975 0.83 TNF (0.47) TGFBR1CLK1FYNCREBBP
SCHEMBL12873406 0.82 CYP1A2 (0.47) TGFBR1FYNPRMT5WDR77CYP1A2
SCHEMBL21083379 0.82 TGFBR1 (0.52) TGFBR1FYNPRMT5WDR77CYP1A2
SCHEMBL21084058 0.81 TGFBR1 (0.60) TGFBR1
SCHEMBL21024065 0.81 TGFBR1 (0.44) TGFBR1CLK1FYNCREBBP
SCHEMBL21765953 0.77 IRAK4 (0.50) TGFBR1CLK1CREBBP
SCHEMBL19578150 0.76 GBA1 (0.48) CLK1
SCHEMBL22891212 0.76 HSD11B1 (0.51) TGFBR1CLK1
SCHEMBL19840418 0.76 GAA (0.45) TGFBR1CYP1A2
SCHEMBL19467090 0.72 NPSR1 (0.54) TGFBR1

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
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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