SCHEMBL6805557

SCHEMBL6805557

CC(C)(C)OC(=O)CCn1cnc2c(Cl)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
FDPS P14324 1/20 0.47
FGFR1 P11362 8/20 0.46
FGFR4 P22455 8/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ABCB11 O95342 1/20 0.39
POLA1 P09884 1/20 0.39
POLG P54098 1/20 0.39
FAP Q12884 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
ADCY5 O95622 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 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
SCHEMBL9545171 0.87 P2RX7 (0.56) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL9534919 0.86 P2RX7 (0.51) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL4640082 0.82 FGFR1 (0.47) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL4640672 0.80 STK17B (0.46) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL9533818 0.80 P2RX7 (0.56) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL27410500 0.79 STK17B (0.45) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL4644008 0.78 DRD2 (0.45) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL4414495 0.77 EP300 (0.50) P2RX7FDPSFGFR1FGFR4HDAC6
SCHEMBL12049642 0.76 FGFR1 (0.58) P2RX7FGFR1FGFR4HDAC6ADORA2A
SCHEMBL5106770 0.75 P2RX7 (0.41) P2RX7FDPSFGFR1FGFR4HDAC6

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed