SCHEMBL3979090

SCHEMBL3979090

C#Cc1ccc(O)c(-c2nccc(NCC(CC)NC(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.41
▸ PRKD1 Q15139 2/20 0.41
▸ PRKD2 Q9BZL6 2/20 0.41
▸ SYK P43405 2/20 0.39
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA6 Q16445 3/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ AAK1 Q2M2I8 3/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL3979083 1.00 PRKD3 (0.41) PRKD3PRKD1PRKD2SYKGABRG2
SCHEMBL4049100 0.86 AAK1 (0.43) PRKD3PRKD1PRKD2SYKAAK1
SCHEMBL4514127 0.86 PRKD3 (0.43) PRKD3PRKD1PRKD2SYKGABRG2
SCHEMBL4523522 0.79 PRKD3 (0.61) PRKD3PRKD1PRKD2HSD17B10ALDH1A1
SCHEMBL4523519 0.79 PRKD3 (0.61) PRKD3PRKD1PRKD2HSD17B10ALDH1A1
SCHEMBL4523515 0.79 PRKD3 (0.61) PRKD3PRKD1PRKD2HSD17B10ALDH1A1
SCHEMBL4508610 0.74 SYK (0.39) SYKGABRB2AAK1ALDH1A1ATM
SCHEMBL4508603 0.74 SYK (0.39) SYKGABRB2AAK1ALDH1A1ATM
SCHEMBL3910866 0.74 SYK (0.39) SYKGABRB2AAK1ALDH1A1ATM
SCHEMBL4523758 0.72 SYK (0.39) SYKAAK1ALDH1A1MAPK1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 — — EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — WO disclosed
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