SCHEMBL2829132

SCHEMBL2829132

Cc1cc(-c2ccc(C(F)(F)F)cc2)cn2c(-c3nc(-c4cnc(N)nc4)co3)cnc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
ALOX5AP P20292 12/20 0.34
FEN1 P39748 10/20 0.34
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
FYN P06241 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.31
MC4R P32245 2/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL313597 0.84 LMNA (0.42) ALOX5APKDM4EPOLB
SCHEMBL2829134 0.82 CCNT1 (0.39) LCKKITSRCKDRALOX5AP
SCHEMBL313095 0.77 LMNA (0.42) KDM4EPOLB
SCHEMBL313739 0.74 S1PR1 (0.54) KDM4EPOLB
SCHEMBL1348445 0.72 LCK (0.38) LCKKITSRCKDRALOX5AP
SCHEMBL312216 0.72 S1PR1 (0.47) KDM4EPOLB
SCHEMBL1346318 0.70 SCN5A (0.40) SRCKDM4EALDH1A1
SCHEMBL313729 0.69 CA9 (0.47) KDM4EPOLB
SCHEMBL312604 0.69 CA2 (0.40) KDM4EPOLB
SCHEMBL1349224 0.67 SCN5A (0.37) SRCKDM4EALDH1A1

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
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP claimed