SCHEMBL2946044

SCHEMBL2946044

CCOc1cc(N2CCOCC2)ccc1-c1nc2c(N)nc(N)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
PDE7A Q13946 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
DHFR P00374 1/20 0.39
TTK P33981 1/20 0.39
PRKDC P78527 1/20 0.39
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2952943 0.90 MAP2K7 (0.45) PDE7ATTKPRKDCFYNINSR
SCHEMBL2953601 0.86 PARP1 (0.42) SMN1; SMN2CDK1CDK2MEN1KMT2A
SCHEMBL2951931 0.85 PRKDC (0.42) MAPTSMN1; SMN2ALDH1A1MAPK1DHFR
SCHEMBL2946368 0.80 PRKDC (0.40) MAPTSMN1; SMN2DHFRPRKDCCDK1
SCHEMBL2953053 0.76 ADK (0.42) MAPTSMN1; SMN2DHFRPRKDCCDK1
SCHEMBL2946049 0.75 DHFR (0.42) MAPTSMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL2946549 0.73 CDK1 (0.32) SMN1; SMN2DHFRCDK1CDK2KDM4E
SCHEMBL2952310 0.72 NPC1 (0.50) SMN1; SMN2ALDH1A1GAAKDM4EMEN1
SCHEMBL3034624 0.72 PDE7A (0.41) PDE7A
SCHEMBL1912077 0.72 LGMN (0.56) MAPTSMN1; SMN2TDP1LMNAALDH1A1

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed