SCHEMBL28382809

SCHEMBL28382809

O=C(Nc1cc(CC2CNCCO2)ccc1N1CCCCC1)c1cccc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ CSF1R P07333 5/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28379118 0.93 PIM1 (0.43) PIM1PIM3CSF1RALDH1A1L3MBTL1
SCHEMBL28379087 0.87 PIM1 (0.41) PIM1PIM3CSF1RCYP1A2CYP2C9
SCHEMBL28383104 0.85 CYP1A2 (0.58) CSF1RCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28380087 0.81 PIM1 (0.42) PIM1PIM3ALDH1A1L3MBTL1MAPT
SCHEMBL28380085 0.80 PIM1 (0.42) PIM1PIM3CSF1R
SCHEMBL28887910 0.80 PIM1 (0.41) PIM1PIM3CYP1A2CYP2C9CYP2C19
SCHEMBL30501423 0.79 PIM1 (0.46) PIM1PIM3CSF1RCYP1A2CYP2C9
SCHEMBL20598222 0.79 PIM1 (0.46) PIM1PIM3CSF1RCYP1A2CYP2C9
SCHEMBL20623368 0.79 PIM1 (0.52) PIM1PIM3CSF1RCYP1A2CYP2C9
SCHEMBL20598685 0.78 CSF1R (0.49) PIM1PIM3CSF1RALDH1A1MAPT

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-A Kinase inhibitors and methods of making and using 里格尔药品股份有限公司 2020-04-17 — — CN disclosed
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