SCHEMBL6004067

SCHEMBL6004067

CCc1ccc(Oc2ccnc3ccc(OCCO)cc23)c(-c2ncccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4D Q08499 1/20 0.36
DDR2 Q16832 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
EGFR P00533 2/20 0.33
BTK Q06187 2/20 0.33
AURKA O14965 2/20 0.33
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
ERBB2 P04626 1/20 0.33
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BLK P51451 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
SCHEMBL6004228 0.90 AXL (0.34) DDR2PDGFRBPDGFRAEGFRBTK
SCHEMBL6004207 0.89 CYP1A2 (0.37) SLC22A12PDE4APDE4DDDR2ACSS2
SCHEMBL6005256 0.88 PDGFRB (0.36) DDR2PDGFRBPDGFRAEGFRBTK
SCHEMBL6004922 0.88 SLC22A12 (0.39) SLC22A12DDR2PDGFRBPDGFRAEGFR
SCHEMBL6003010 0.88 PDE3B (0.41) SLC22A12DDR2PDE3BPDE3AP2RY12
SCHEMBL6004140 0.85 DDR2 (0.35) SLC22A12DDR2EGFRBTKAURKA
SCHEMBL6004179 0.85 CYP3A4 (0.44)
SCHEMBL6005209 0.84 MET (0.41) KDRMETAXL
SCHEMBL6004233 0.84 SRC (0.34) PDGFRBPDGFRAEGFRBTKERBB2
SCHEMBL6004126 0.84 ROCK2 (0.36) DDR2EGFRBTKAURKALCK

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed