SCHEMBL10180841

SCHEMBL10180841

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAPT P10636 7/20 0.35

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
SCHEMBL12946908 0.94 SMN1; SMN2 (0.44) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL964364 0.91 KMT2A (0.45) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL964828 0.90 HPGD (0.44) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL3459382 0.90 HPGD (0.44) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL966008 0.89 KMT2A (0.42) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL10181411 0.88 CTSK (0.42) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL10180039 0.86 CA1 (0.44) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL3459112 0.85 HPGD (0.46) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL964362 0.85 SMN1; SMN2 (0.47) KMT2AMEN1HPGDSMN1; SMN2PKM
SCHEMBL10180388 0.85 KMT2A (0.39) KMT2AMEN1HPGDSMN1; SMN2PKM

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 1 patent. 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
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