SCHEMBL10180845

SCHEMBL10180845

CSc1nc(N)nc(N[C@@H](CCCNC(=O)O)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ TP53 P04637 2/20 0.37

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
SCHEMBL12946922 0.94 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL3460501 0.94 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL966006 0.93 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL964362 0.92 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL3459376 0.91 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL964825 0.91 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL12946908 0.90 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL10181417 0.90 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL12915851 0.90 CA1 (0.46) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL3459084 0.89 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1PKMHPGD

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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