SCHEMBL29590156

SCHEMBL29590156

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ MTOR P42345 7/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PIK3CG P48736 3/20 0.43
▸ PIK3CA P42336 3/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ AKT1 P31749 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ CDK6 Q00534 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
SCHEMBL14783277 1.00 LMNA (0.50) LMNAHTTMAPTMEN1KMT2A
SCHEMBL14783539 0.96 PIK3CA (0.47) LMNAHTTMAPTMEN1KMT2A
SCHEMBL29590395 0.96 PIK3CA (0.47) LMNAHTTMAPTMEN1KMT2A
SCHEMBL14783531 0.95 MTOR (0.46) LMNAHTTMAPTMEN1KMT2A
SCHEMBL29592494 0.95 MTOR (0.46) LMNAHTTMAPTMEN1KMT2A
SCHEMBL29591439 0.93 MTOR (0.51) LMNAHTTMAPTMEN1KMT2A
SCHEMBL14783581 0.93 MTOR (0.51) LMNAHTTMAPTMEN1KMT2A
SCHEMBL14783454 0.93 KCNQ3 (0.52) LMNAHTTMAPTMEN1KMT2A
SCHEMBL29590614 0.93 KCNQ3 (0.52) LMNAHTTMAPTMEN1KMT2A
SCHEMBL14783011 0.91 MTOR (0.52) KCNQ3KCNQ2MTORHPGDPIK3CG

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-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
Send feedback