SCHEMBL30501386

SCHEMBL30501386

O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ KMT2A Q03164 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ HPGD P15428 2/20 0.56
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ PIM1 P11309 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ IRAK4 Q9NWZ3 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL20598031 1.00 TSHR (0.58) TSHRKMT2AALDH1A1HPGDGAA
SCHEMBL30501390 0.93 TSHR (0.49) TSHRKMT2AALDH1A1HPGDGAA
SCHEMBL20598682 0.93 TSHR (0.49) TSHRKMT2AALDH1A1HPGDGAA
SCHEMBL20598482 0.85 PIM1 (0.51) TSHRALDH1A1PIM1PIM3MAPT
SCHEMBL30501501 0.85 PIM1 (0.51) TSHRALDH1A1PIM1PIM3MAPT
SCHEMBL20598634 0.85 TSHR (0.58) TSHRKMT2AALDH1A1HPGDGAA
SCHEMBL30501423 0.84 PIM1 (0.46) TSHRKMT2AALDH1A1PIM1PIM3
SCHEMBL20598222 0.84 PIM1 (0.46) TSHRKMT2AALDH1A1PIM1PIM3
SCHEMBL20598685 0.82 CSF1R (0.49) KMT2AALDH1A1PIM1PIM3MAPT
SCHEMBL30501470 0.82 CSF1R (0.49) KMT2AALDH1A1PIM1PIM3MAPT

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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