SCHEMBL28378703

SCHEMBL28378703

O=C(Nc1cccc(C2COCCN2)c1N1CCCCC1)c1ccc(Br)o1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ CSF1R P07333 1/20 0.54
▸ MAPK10 P53779 18/20 0.54
▸ MAPK8 P45983 16/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29033319 0.83 HPGD (0.42) TSHRPOLBATMCSF1RMAPK10
SCHEMBL28382394 0.83 MAPK10 (0.46) TSHRPOLBATMMAPK10MAPK8
SCHEMBL28378617 0.81 PIM1 (0.41) TSHRPOLBATMMAPK10MAPK8
SCHEMBL28379784 0.77 MAPK10 (0.74) TSHRPOLBATMCSF1RMAPK10
SCHEMBL28378686 0.73 CHEK1 (0.55) —
SCHEMBL13147762 0.71 CSF1R (1.00) TSHRPOLBATMCSF1RMAPK10
SCHEMBL13167004 0.70 ALDH1A1 (1.00) TSHRPOLBATMCSF1RMAPK10
SCHEMBL20598829 0.65 NPC1 (0.72) TSHRCSF1RMAPK10ALDH1A1GAA
SCHEMBL20598140 0.65 ALDH1A1 (0.67) TSHRCSF1RMAPK10ALDH1A1GAA
SCHEMBL28887709 0.64 CSF1R (0.57) TSHRPOLBATMCSF1RMAPK10

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 2 patents. 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
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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