SCHEMBL3461155

SCHEMBL3461155

CCOc1nc(N)nc(NC(=O)[C@H](C)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 11/20 0.44
▸ MAPK9 P45984 9/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ MAPK10 P53779 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ MAP4K2 Q12851 1/20 0.40
▸ PKN2 Q16513 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RPS27 P42677 3/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ BRAF P15056 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
SCHEMBL3459373 0.93 MAPK8 (0.42) MAPK8MAPK9PRKD3MEN1ALDH1A1
SCHEMBL3461151 0.93 MAPK8 (0.44) MAPK8MAPK9PRKD3MAPK10MEN1
SCHEMBL3460056 0.91 SMN1; SMN2 (0.40) MEN1ALDH1A1POLBKMT2ACTSL
SCHEMBL965756 0.90 MAPK8 (0.41) MAPK8MAPK9PRKD3MAPK10MEN1
SCHEMBL3459877 0.90 MAPK8 (0.41) MAPK8MAPK9MEN1ALDH1A1POLB
SCHEMBL10180401 0.90 RXFP1 (0.44) ALDH1A1KMT2ACTSLCTSBCTSK
SCHEMBL3460790 0.89 MAPK8 (0.41) MAPK8MAPK9PRKD3MAPK10MEN1
SCHEMBL3460097 0.88 MAPK8 (0.40) MAPK8MAPK9PRKD3MAPK10MEN1
SCHEMBL968116 0.87 MAPK8 (0.39) MAPK8MAPK9PRKD3MAPK10MEN1
SCHEMBL3459370 0.87 ALDH1A1 (0.43) MAPK8MAPK9PRKD3MEN1ALDH1A1

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 claimed
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