SCHEMBL13199727

SCHEMBL13199727

CCOC(=O)c1cnc([C@@H](C)NC(=O)OCc2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
CTSK P43235 5/20 0.45
CTSL P07711 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSS P25774 2/20 0.43
CTSB P07858 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
SCHEMBL12590837 1.00 ATM (0.52) ATMCDC7DBF4CTSKCTSL
SCHEMBL12590984 0.91 ATM (0.54) ATMCTSK
SCHEMBL12590838 0.89 ATM (0.56) ATMCTSKCTSLSMN1; SMN2CTSS
SCHEMBL2407133 0.85 SYK (0.46) ATMCTSLCTSS
SCHEMBL12272036 0.81 TDP1 (0.49) ATMCDC7DBF4SMN1; SMN2
SCHEMBL13199743 0.78 ATM (0.52) ATMCTSKCTSLHSD17B10CTSS
SCHEMBL12272599 0.78 TDP1 (0.46) CDC7DBF4SMN1; SMN2
SCHEMBL12590824 0.78 SMN1; SMN2 (0.47) CDC7DBF4SMN1; SMN2HSD17B10
SCHEMBL3338146 0.77 ATM (0.58) ATMCTSKCTSLSMN1; SMN2CTSS
Hydrochloric Acid SCHEMBL2406001 0.77 TDP1 (0.45) CDC7DBF4SMN1; SMN2

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
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed