SCHEMBL13125779

SCHEMBL13125779

Bc1cccc(NC(=O)[C@H](C)N(C)c2nc(N)nc(OC)c2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.38
▸ MAPK9 P45984 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IKBKB O14920 5/20 0.34
▸ MAPK10 P53779 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ TSHR P16473 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
SCHEMBL12946909 0.89 ALDH1A1 (0.41) MAPK8MAPK9ALDH1A1MAPTMEN1
SCHEMBL10327120 0.89 SMN1; SMN2 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12946855 0.85 NPC1 (0.40) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL10327468 0.80 MAPK8 (0.50) MAPK8MAPK9ALDH1A1MAPK10PRKD3
SCHEMBL12947079 0.80 MAPK8 (0.45) MAPK8MAPK9ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10327289 0.79 MAPK8 (0.43) MAPK8MAPK9ALDH1A1MAPTMEN1
SCHEMBL10327478 0.78 ALDH1A1 (0.42) MAPK8MAPK9ALDH1A1MAPTMEN1
SCHEMBL12946926 0.76 MAPK8 (0.42) MAPK8MAPK9MAPK10PRKD3
SCHEMBL10180692 0.74 MAPK8 (0.38) MAPK8MAPK9ALDH1A1SMN1; SMN2LMNA
SCHEMBL12946841 0.74 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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