SCHEMBL3459877

SCHEMBL3459877

CC(C)Oc1nc(N)nc(NC(=O)[C@H](C)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ GAA P10253 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ IDH2 P48735 1/20 0.38
▸ 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
SCHEMBL3459315 0.93 MAPT (0.43) MAPK8MAPK9MAPTGAAALDH1A1
SCHEMBL3460056 0.92 SMN1; SMN2 (0.40) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL3461155 0.90 MAPK8 (0.44) MAPK8MAPK9ALDH1A1MEN1KMT2A
SCHEMBL3459373 0.88 MAPK8 (0.42) MAPK8MAPK9MAPTGAAALDH1A1
SCHEMBL3459095 0.88 PIK3CD (0.48) MAPTGAAALDH1A1RXFP1KDM4E
SCHEMBL3460778 0.87 KDM4E (0.41) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL10180401 0.86 RXFP1 (0.44) MAPTGAAALDH1A1KMT2ARXFP1
SCHEMBL3460054 0.85 SMN1; SMN2 (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10181157 0.85 KMT2A (0.47) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10180464 0.85 KMT2A (0.47) MAPTGAAALDH1A1MEN1KMT2A

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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