SCHEMBL4605972

SCHEMBL4605972

Nc1cc(C2CCN(C(=O)O)C2)ns1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.38
SCD5 Q86SK9 4/20 0.36
SCD O00767 1/20 0.36
SPR P35270 3/20 0.36
KDM5A P29375 1/20 0.35
HCRTR2 O43614 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
DPP4 P27487 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL4706092 0.91 SCD5 (0.34) MAP3K12SCD5SCDSPRNPC1
SCHEMBL5450834 0.80 KDM4E (0.47) MAPTALDH1A1
SCHEMBL21821523 0.73 TRPC6 (0.49)
SCHEMBL8247736 0.71
SCHEMBL2636913 0.70 HSD11B1 (0.53) MAP3K12KDM5ANPC1RAB9ASMN1; SMN2
SCHEMBL16211905 0.70 SPR (0.37) MAP3K12SCD5SPRKDM5ANPC1
SCHEMBL16269068 0.70 SCD (0.40) SCD5SCDSPRNPC1RAB9A
SCHEMBL2027017 0.69 RAB9A (0.50) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15577442 0.69 RAB9A (0.50) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2806341 0.69 HSD11B1 (0.60) SCD5SPRKDM5ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945216-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2008-07-23 EP disclosed
EP-1945644-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed