SCHEMBL2574902

SCHEMBL2574902

Cc1c(N2CCOCC2)nc2ccccn2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.69
PRKDC P78527 1/20 0.56
HPGD P15428 4/20 0.55
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
ALOX12 P18054 1/20 0.53
POLB P06746 2/20 0.52
GFER P55789 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
RAB9A P51151 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL29956658 0.82 GAA (1.00) GAAPRKDCHPGDALDH1A1MAPT
SCHEMBL26626649 0.75 GAA (0.60) GAAPRKDCHPGDALDH1A1MAPT
Formamide SCHEMBL29160387 0.74 GAA (0.47) GAAPRKDCHPGDALDH1A1MAPT
SCHEMBL11357473 0.73 KMT2A (0.56) GAAHPGDALDH1A1MAPTKMT2A
SCHEMBL4544196 0.72 PRKDC (1.00) GAAPRKDC
SCHEMBL6132105 0.72 PIK3CB (0.55) PRKDCSMN1; SMN2
SCHEMBL18412791 0.72 PRKDC (0.52) GAAPRKDCHPGDALDH1A1MAPT
SCHEMBL23780891 0.72 GAA (0.41) GAAHPGDALDH1A1MAPTALOX12
SCHEMBL3955093 0.70 ALDH1A1 (0.65) GAAALDH1A1MAPTPOLBGFER
SCHEMBL7016317 0.70 KDM4E (0.51) GAAHPGDALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed