SCHEMBL6188044

SCHEMBL6188044

CC(C)(C)n1nnc(-c2ccccc2C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
XDH P47989 1/20 0.38
KCNN4 O15554 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AOC3 Q16853 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 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
SCHEMBL6155 0.86 POLB (0.39) GRM5SMN1; SMN2POLBXDHKCNN4
SCHEMBL9033772 0.82 AGTR1 (0.41) GRM5SMN1; SMN2POLBXDHKCNN4
SCHEMBL7352477 0.80 ABCG2 (0.41) SMN1; SMN2POLBXDHAOC3NPC1
SCHEMBL6189224 0.80 PDK2 (0.44) GRM5SMN1; SMN2XDHKCNN4MEN1
SCHEMBL9131392 0.78 POLB (0.38) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL9257119 0.77 POLB (0.40) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL8596999 0.76 POLB (0.38) SMN1; SMN2POLBKCNN4AOC3NPC1
SCHEMBL27357705 0.76 POLB (0.38) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL8788397 0.74 NPSR1 (0.55) GRM5SMN1; SMN2XDHKCNN4KMT2A
SCHEMBL7020110 0.73 POLB (0.36) SMN1; SMN2POLBAOC3NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6251911-B1 Pyrimidine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 2001-06-26 US disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed