SCHEMBL2579877

SCHEMBL2579877

Cc1c(Cc2ccc(-n3cccn3)cc2)c(C2CC2)nc2c(F)ccc([O])c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
CHRM1 P11229 7/20 0.38
RORC P51449 3/20 0.37
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MPO P05164 1/20 0.35
CCR2 P41597 1/20 0.35
BRD4 O60885 1/20 0.35
PDE2A O00408 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNK O75909 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CDK13 Q14004 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL2574236 0.89 PTGDR2 (0.46) PTGDR2CHRM1RORCUSP1WDR48
SCHEMBL2574678 0.84 PTGDR2 (0.64) PTGDR2CHRM1RORCUSP1WDR48
SCHEMBL2585815 0.84 PTGDR2 (0.46) PTGDR2RORC
SCHEMBL2570354 0.84 PTGDR2 (0.53) PTGDR2CHRM1RORCUSP1WDR48
SCHEMBL2570357 0.84 PTGDR2 (0.53) PTGDR2CHRM1RORCUSP1WDR48
SCHEMBL2570380 0.82 PTGDR2 (0.55) PTGDR2CHRM1RORCUSP1WDR48
SCHEMBL2572421 0.82 PTGDR2 (0.51) PTGDR2CHRM1RORCUSP1WDR48
SCHEMBL2572423 0.82 PTGDR2 (0.51) PTGDR2CHRM1RORCUSP1WDR48
SCHEMBL2577124 0.81 PTGDR2 (0.54) PTGDR2CHRM1RORCMPOKDM4E
SCHEMBL2570703 0.74 PTGDR2 (0.46) PTGDR2RORCMPO

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-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed