SCHEMBL28384221

SCHEMBL28384221

O=C(Nc1cccc(N2CCOCC2)c1N1CCCC1)c1ccc(-c2cn[nH]c2)o1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK10 P53779 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ POLB P06746 3/20 0.46
▸ CSF1R P07333 6/20 0.45
▸ MITF O75030 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ SRPK1 Q96SB4 1/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL29033220 0.99 HPGD (0.52) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL28887694 0.97 HPGD (0.50) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL20598851 0.84 CSF1R (0.54) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL20598344 0.83 CSF1R (0.55) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL20598310 0.83 CSF1R (0.55) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL20598458 0.82 IRAK4 (0.50) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL28383182 0.82 IRAK4 (0.68) SMN1; SMN2KDM4EIRAK4ALDH1A1TSHR
SCHEMBL28379236 0.81 IRAK4 (0.69) SMN1; SMN2KDM4EIRAK4ALDH1A1TSHR
SCHEMBL29033319 0.81 HPGD (0.42) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL20598375 0.81 SMN1; SMN2 (0.56) HPGDSMN1; SMN2MAPTIRAK4ALDH1A1

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 4 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 claimed
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 claimed
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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