SCHEMBL16192811

SCHEMBL16192811

CC1(C)CC(Nc2nccc(-c3ccc(OCc4ccccc4)s3)n2)CC(C)(C)N1.CCCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
MAPK8 P45983 4/20 0.35
MAPK9 P45984 4/20 0.35
KDR P35968 1/20 0.35
EZH2 Q15910 2/20 0.35
KCNH2 Q12809 1/20 0.34
AKT3 Q9Y243 1/20 0.33
ERN1 O75460 1/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
IKBKG Q9Y6K9 2/20 0.33
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL3477117 0.91 SLC2A1 (0.42) SLC2A1MAPK8MAPK9EZH2KCNH2
SCHEMBL3471336 0.88 KDR (0.40) KDRKCNH2AKT3IKBKBCHUK
SCHEMBL3472509 0.85 AKT3 (0.41) SLC2A1MAPK8MAPK9KDRKCNH2
SCHEMBL13638560 0.81 MAPK8 (0.39) SLC2A1MAPK8MAPK9KDREZH2
SCHEMBL3471003 0.81 KCNH2 (0.37) MAPK8MAPK9KDRKCNH2IKBKB
SCHEMBL3478419 0.80 IKBKB (0.47) KDRKCNH2AKT3IKBKBCHUK
SCHEMBL4492547 0.80 IKBKB (0.43) KDRKCNH2AKT3IKBKBCHUK
SCHEMBL3477954 0.80 IKBKB (0.38) KDRKCNH2AKT3IKBKBCHUK
SCHEMBL3470336 0.80 KCNH2 (0.37) MAPK8MAPK9KDRKCNH2AKT3
SCHEMBL13633566 0.79 IKBKB (0.45) KDRKCNH2AKT3IKBKBCHUK

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-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP claimed