SCHEMBL3793648

SCHEMBL3793648

CC(C)(C)c1c[nH]c2nc(N)[nH]c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
TYMS P04818 5/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL24126892 0.82 L3MBTL1 (0.36) ALDH1A1
SCHEMBL20792487 0.79 TYMS (0.43) DYRK1ATYMS
SCHEMBL12820951 0.78 DYRK1A (0.46) DYRK1ATYMS
SCHEMBL18520454 0.76 DYRK1A (0.47) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL21161374 0.75 TYMS (0.49) TYMS
SCHEMBL12884842 0.75 TYMS (0.46) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL24704369 0.75 DYRK1A (0.46) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL15061831 0.75 TYMS (0.48) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL3391755 0.74 DYRK1A (0.42) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL25899172 0.74 L3MBTL1 (0.32)

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-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed