SCHEMBL30501501

SCHEMBL30501501

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.51
▸ PIM3 Q86V86 1/20 0.51
▸ BACE1 P56817 2/20 0.50
▸ CSF1R P07333 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ IRAK4 Q9NWZ3 5/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ IRAK1 P51617 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL20598482 1.00 PIM1 (0.51) PIM1PIM3BACE1CSF1RTSHR
SCHEMBL30501448 0.92 NTRK1 (0.57) PIM1PIM3CSF1RTSHRALDH1A1
SCHEMBL20598735 0.92 NTRK1 (0.57) PIM1PIM3CSF1RTSHRALDH1A1
SCHEMBL20598031 0.85 TSHR (0.58) PIM1PIM3BACE1TSHRALDH1A1
SCHEMBL30501386 0.85 TSHR (0.58) PIM1PIM3BACE1TSHRALDH1A1
SCHEMBL20598685 0.85 CSF1R (0.49) PIM1PIM3BACE1CSF1RALDH1A1
SCHEMBL30501470 0.85 CSF1R (0.49) PIM1PIM3BACE1CSF1RALDH1A1
SCHEMBL20598729 0.84 CSF1R (0.49) PIM1PIM3BACE1CSF1RTSHR
SCHEMBL20598665 0.84 PIM1 (0.47) PIM1PIM3BACE1CSF1RTSHR
SCHEMBL30501377 0.84 PIM1 (0.47) PIM1PIM3BACE1CSF1RTSHR

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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