SCHEMBL3459516

SCHEMBL3459516

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 8/20 0.41
▸ MAPK9 P45984 7/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ STK17A Q9UEE5 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
SCHEMBL10180495 0.88 KMT2A (0.47) ALDH1A1KMT2AMEN1POLBCYP1A2
SCHEMBL10327341 0.82 MAPT (0.39) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL3461151 0.81 MAPK8 (0.44) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL10180413 0.80 MAPK8 (0.42) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL10181891 0.80 MEN1 (0.41) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL3459514 0.80 MAPK8 (0.39) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL965820 0.80 MAPK8 (0.38) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL965753 0.80 MAPK8 (0.41) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL10327289 0.80 MAPK8 (0.43) MAPK8MAPK9PRKD3ALDH1A1KMT2A
SCHEMBL12947010 0.79 MAPT (0.39) MAPK8MAPK9PRKD3ALDH1A1KMT2A

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
Send feedback