SCHEMBL29591439

SCHEMBL29591439

O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.51
▸ PIK3CA P42336 5/20 0.51
▸ PIK3CG P48736 5/20 0.51
▸ EPHX2 P34913 4/20 0.49
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MCHR1 Q99705 1/20 0.47
▸ KCNQ3 O43525 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46
▸ CDK6 Q00534 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL14783581 1.00 MTOR (0.51) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL14783539 0.94 PIK3CA (0.47) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL29590395 0.94 PIK3CA (0.47) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL29590344 0.94 MTOR (0.51) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL14784050 0.94 MTOR (0.51) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL29590156 0.93 LMNA (0.50) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL14783277 0.93 LMNA (0.50) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL29592494 0.93 MTOR (0.46) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL14783531 0.93 MTOR (0.46) MTORPIK3CAPIK3CGEPHX2MAPT
SCHEMBL29591524 0.93 MAPT (0.57) MAPTSMN1; SMN2HTTLMNAMCHR1

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