SCHEMBL14456901

SCHEMBL14456901

CNc1nc2c(cc1C(N)=O)c1ccccc1n2CCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
TYK2 P29597 5/20 0.41
JAK3 P52333 5/20 0.41
NPC1 O15118 3/20 0.39
CDC7 O00311 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EEF2K O00418 1/20 0.36

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
SCHEMBL14457086 0.89 KDM4E (0.46) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL14456914 0.89 KDM4E (0.43) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL401059 0.88 KDM4E (0.57) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL14457471 0.88 KDM4E (0.43) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL399709 0.84 KDM4E (0.43) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL399322 0.83 KDM4E (0.57) KDM4EALDH1A1GAAHPGDALOX15
Hydrochloric Acid SCHEMBL398556 0.82 KDM4E (0.56) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL13003066 0.81 KDM4E (0.43) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL3759456 0.81 KDM4E (0.43) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL398433 0.80 KDM4E (0.53) KDM4EALDH1A1GAAHPGDALOX15

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-2007097981-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed