SCHEMBL30501336

SCHEMBL30501336

O=C(Nc1ccc(CN2CCOCC2)cc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ ACKR3 P25106 1/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ EPAS1 Q99814 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ IRAK4 Q9NWZ3 3/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20598757 1.00 PIM1 (0.48) PIM1PIM3ACKR3HIF1AEPAS1
SCHEMBL30501470 0.93 CSF1R (0.49) PIM1PIM3ACKR3HIF1AEPAS1
SCHEMBL20598685 0.93 CSF1R (0.49) PIM1PIM3ACKR3HIF1AEPAS1
SCHEMBL20598210 0.92 PIM1 (0.47) PIM1PIM3ALDH1A1MAPTIRAK4
SCHEMBL30501459 0.92 PIM1 (0.47) PIM1PIM3ALDH1A1MAPTIRAK4
SCHEMBL20598360 0.87 PIM1 (0.46) PIM1PIM3ALDH1A1MAPTIRAK4
SCHEMBL30501479 0.87 PIM1 (0.46) PIM1PIM3ALDH1A1MAPTIRAK4
SCHEMBL20598423 0.85 PIM1 (0.46) PIM1PIM3HIF1AEPAS1ALDH1A1
SCHEMBL20598735 0.85 NTRK1 (0.57) PIM1PIM3ALDH1A1MAPTIRAK4
SCHEMBL30501448 0.85 NTRK1 (0.57) PIM1PIM3ALDH1A1MAPTIRAK4

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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