SCHEMBL2625491

SCHEMBL2625491

CC(C)c1ncc(F)c(O)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
APLNR P35414 1/20 0.32
RPS6KA3 P51812 1/20 0.30
POLB P06746 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL2632770 0.81 TSHR (0.32)
SCHEMBL6648783 0.78 APLNR (0.34) APLNR
SCHEMBL8163993 0.77 APLNR (0.38) APLNRNR3C1
SCHEMBL14997543 0.77 PTGS1 (0.35) PTGS1PTGS2POLB
SCHEMBL14998951 0.77 PTGS1 (0.35) PTGS1PTGS2APLNRPOLB
SCHEMBL10996190 0.75 TKT (0.35) APLNRPOLB
SCHEMBL15431031 0.72 PIK3CA (0.33) PTGS1PTGS2
SCHEMBL10691443 0.72 P2RX3 (0.36) POLB
SCHEMBL21101088 0.72 POLB (0.34) PTGS1PTGS2POLB
SCHEMBL19523168 0.72 PTGS1 (0.33) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed