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Sugi Predict / Compounds / SCHEMBL22562563

SCHEMBL22562563

SCHEMBL22562563

Cc1cccc(-c2c(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 7/20 0.41
▸ GRM5 P41594 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL22562566 0.96 TGFBR1 (0.41) TGFBR1GRM5GABRA1GABRG2GABRB3
SCHEMBL22562272 0.88 ALDH1A3 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562399 0.87 TGFBR1 (0.40) TGFBR1GRM5GABRA1GABRG2GABRB3
SCHEMBL21278798 0.86 STS (0.33) —
SCHEMBL19909393 0.85 STS (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562267 0.85 ALDH1A3 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22562559 0.85 TGFBR1 (0.36) TGFBR1IRAK4
SCHEMBL22562558 0.85 HSD11B1 (0.37) TGFBR1IRAK4
SCHEMBL22563522 0.85 STS (0.34) —
SCHEMBL22562270 0.84 TGFBR1 (0.38) TGFBR1GRM5IRAK4

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
EP-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 — — EP disclosed