SCHEMBL30501459

SCHEMBL30501459

O=C(Nc1ccc(CCN2CCOCC2)cc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ CSF1R P07333 7/20 0.45
▸ IRAK4 Q9NWZ3 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK10 P53779 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL20598210 1.00 PIM1 (0.47) PIM1PIM3CSF1RIRAK4ALDH1A1
SCHEMBL20598665 0.93 PIM1 (0.47) PIM1PIM3CSF1RIRAK4ALDH1A1
SCHEMBL30501377 0.93 PIM1 (0.47) PIM1PIM3CSF1RIRAK4ALDH1A1
SCHEMBL30501336 0.92 PIM1 (0.48) PIM1PIM3CSF1RIRAK4ALDH1A1
SCHEMBL20598757 0.92 PIM1 (0.48) PIM1PIM3CSF1RIRAK4ALDH1A1
SCHEMBL20598264 0.87 PIM1 (0.45) PIM1PIM3IRAK4ALDH1A1TSHR
SCHEMBL30501451 0.87 PIM1 (0.45) PIM1PIM3IRAK4ALDH1A1TSHR
SCHEMBL20598360 0.86 PIM1 (0.46) PIM1PIM3CSF1RIRAK4ALDH1A1
SCHEMBL20597905 0.86 CSF1R (0.44) PIM1PIM3CSF1RIRAK4ALDH1A1
SCHEMBL30501479 0.86 PIM1 (0.46) PIM1PIM3CSF1RIRAK4ALDH1A1

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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