SCHEMBL30501390

SCHEMBL30501390

O=C(Nc1ccc(C(=O)N2CCOCC2)cc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ PIM1 P11309 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ IRAK4 Q9NWZ3 4/20 0.46
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LRRK2 Q5S007 3/20 0.45
▸ ATR Q13535 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20598682 1.00 TSHR (0.49) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501386 0.93 TSHR (0.58) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598031 0.93 TSHR (0.58) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598735 0.85 NTRK1 (0.57) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501448 0.85 NTRK1 (0.57) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598372 0.85 TSHR (0.49) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501479 0.84 PIM1 (0.46) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598360 0.84 PIM1 (0.46) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL20598757 0.82 PIM1 (0.48) TSHRPIM1PIM3ALDH1A1KMT2A
SCHEMBL30501336 0.82 PIM1 (0.48) TSHRPIM1PIM3ALDH1A1KMT2A

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
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
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