SCHEMBL3261694

SCHEMBL3261694

Cc1c(C)n(Cc2ccccc2)c2ncnc(N/N=C/c3ccc(C(C)C)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
NR2F2 P24468 2/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL3261696 1.00 MEN1 (0.57) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL17620472 0.91 MEN1 (0.65) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3152969 0.86 MEN1 (0.57) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3171258 0.85 MEN1 (0.56) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3156943 0.85 MEN1 (0.56) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3171261 0.85 MEN1 (0.56) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3157054 0.82 MEN1 (0.57) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3157063 0.82 MEN1 (0.57) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3160499 0.80 KMT2A (0.59) MEN1KMT2ANR2F2RAB9ANPC1
SCHEMBL3160505 0.80 KMT2A (0.59) MEN1KMT2ANR2F2RAB9ANPC1

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-1756110-B1 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES, AS WELL AS THEIR THERAPEUTICALLY ACCEPTABLE SALTS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND PROCESS FOR PRODUCTION THE ACTIVE AGENT SZOLCSANYI JANOS (HU) 2010-03-31 EP disclosed