SCHEMBL28886993

SCHEMBL28886993

O=CC(c1ccc(N2CCCCC2)c(NC(=O)c2ccc(-c3cn[nH]c3)o2)c1)C1CNCCO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRPK1 Q96SB4 4/20 0.43
▸ AKT1 P31749 1/20 0.41
▸ GAA P10253 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CSF1R P07333 9/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL29033317 0.95 AKT1 (0.41) SRPK1AKT1GAAHPGDSMN1; SMN2
SCHEMBL28378694 0.84 CYP1A2 (0.53) GAAHPGDSMN1; SMN2LMNAMAPT
SCHEMBL29033218 0.84 CHEK1 (0.54) IRAK4
SCHEMBL28378607 0.79 CSF1R (0.51) GAAHPGDSMN1; SMN2LMNAMAPT
SCHEMBL28382326 0.78 PIM1 (0.40) —
SCHEMBL28887910 0.76 PIM1 (0.41) KDM4EMAPTIRAK4CYP1A2CYP2C9
SCHEMBL20598310 0.76 CSF1R (0.55) SRPK1GAAHPGDSMN1; SMN2KDM4E
SCHEMBL20598787 0.75 SRPK1 (0.49) SRPK1GAAHPGDSMN1; SMN2KDM4E
SCHEMBL20623024 0.75 CSF1R (0.53) SRPK1GAAHPGDSMN1; SMN2KDM4E
SCHEMBL20598149 0.75 SRPK1 (0.58) SRPK1GAAHPGDSMN1; SMN2KDM4E

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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