SCHEMBL3160499

SCHEMBL3160499

Cc1c(C)n(Cc2ccccc2)c2ncnc(N/N=C/c3cccs3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.59
MEN1 O00255 10/20 0.59
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
NR2F2 P24468 2/20 0.54
POLB P06746 2/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
XBP1 P17861 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3160505 1.00 KMT2A (0.59) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL17620472 0.86 MEN1 (0.65) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3171261 0.81 MEN1 (0.56) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3171258 0.81 MEN1 (0.56) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3259941 0.81 MEN1 (0.58) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3164901 0.80 MEN1 (0.57) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3152969 0.80 MEN1 (0.57) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3261694 0.80 MEN1 (0.57) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3157054 0.80 MEN1 (0.57) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL3157063 0.80 MEN1 (0.57) KMT2AMEN1NPC1RAB9ANR2F2

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