SCHEMBL12264153

SCHEMBL12264153

CC(C)(C)NC(=O)c1cccc2nc(CN)n(C3CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 2/20 0.36
EGFR P00533 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CACNA1H O95180 1/20 0.34
ALOX5AP P20292 1/20 0.34
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
FAP Q12884 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRK6 P43250 1/20 0.33

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
SCHEMBL12264148 0.84 PDE4B (0.42) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12265549 0.83 GRK6 (0.39) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL2508093 0.81 MAPT (0.38) MAPTALDH1A1TSHREGFRPOLB
SCHEMBL2510327 0.81 MAPT (0.38) MAPTALDH1A1TSHREGFRPOLB
SCHEMBL2505608 0.70 CNR1 (0.45) MAPTALDH1A1CNR2KDM4E
SCHEMBL2507261 0.69 PIK3CD (0.59)
SCHEMBL2508692 0.68 TP53 (0.39) ALDH1A1CNR2EGFRKDM4EOPRM1
SCHEMBL2505347 0.68 TP53 (0.39) ALDH1A1CNR2EGFRKDM4EOPRM1
SCHEMBL2505074 0.68 PIK3CD (0.38) CNR2EGFROPRM1OPRD1GRK6
SCHEMBL2505077 0.68 PIK3CD (0.38) CNR2EGFROPRM1OPRD1GRK6

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
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed