SCHEMBL10180187

SCHEMBL10180187

CSc1nc(N)nc(NC(=O)[C@H](C)N(C)c2cc(OC(F)(F)F)ccc2OCCN(C)C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL12947032 0.86 ALDH1A1 (0.35) PIK3CDALDH1A1MAPTMEN1KMT2A
SCHEMBL10180469 0.81 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3460273 0.74 BRAF (0.38) PIK3CDALDH1A1MAPTMEN1KMT2A
SCHEMBL10180124 0.73 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3460271 0.72 BRAF (0.39) PIK3CDALDH1A1MAPTMEN1KMT2A
SCHEMBL10180924 0.71 MAPK8 (0.42) ADORA1
SCHEMBL965134 0.69 ADORA1 (0.38) ADORA1
SCHEMBL10181000 0.69 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10180897 0.67 HPGD (0.42) PIK3CDALDH1A1MAPTMEN1KMT2A
SCHEMBL10180972 0.66 LMNA (0.40) ALDH1A1MAPTMEN1KMT2ALMNA

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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