SCHEMBL3460056

SCHEMBL3460056

COc1nc(N)nc(NC(=O)[C@H](C)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 8/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL3460054 0.93 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3459877 0.92 MAPK8 (0.41) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3461155 0.91 MAPK8 (0.44) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL3459373 0.89 MAPK8 (0.42) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3459095 0.89 PIK3CD (0.48) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL3460778 0.88 KDM4E (0.41) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL10180401 0.87 RXFP1 (0.44) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL3460495 0.87 KDM4E (0.38) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL10180464 0.86 KMT2A (0.47) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL10181157 0.86 KMT2A (0.47) SMN1; SMN2LMNAMAPTKDM4EALDH1A1

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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