SCHEMBL8801463

SCHEMBL8801463

Cc1ccc2cc(-c3ccsc3)cnc2c1C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.54
PDGFRA P16234 11/20 0.54
CYP2A6 P11509 5/20 0.47
GAK O14976 2/20 0.45
CYP2E1 P05181 1/20 0.41
CYP2B6 P20813 1/20 0.41
CHEK2 O96017 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL8803113 0.76 PDGFRB (0.60) PDGFRBPDGFRACYP2A6GAKCYP2E1
SCHEMBL4353296 0.75 PDGFRB (0.68) PDGFRBPDGFRACYP2A6GAKCYP2E1
SCHEMBL8801931 0.74 PDGFRB (0.61) PDGFRBPDGFRACYP2A6GAK
SCHEMBL17715688 0.71 PDGFRB (0.55) PDGFRBPDGFRACYP2A6GAKCYP2E1
SCHEMBL862480 0.71 CCR1 (0.72) CYP2A6
SCHEMBL8803053 0.71 PDGFRB (0.51) PDGFRBPDGFRACYP2A6
SCHEMBL31060603 0.70 PDGFRB (1.00) PDGFRBPDGFRACYP2A6GAK
SCHEMBL8501282 0.70 PDGFRB (1.00) PDGFRBPDGFRACYP2A6GAK
SCHEMBL31060213 0.69 PDGFRB (1.00) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL19180724 0.68 PDGFRB (1.00) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6

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-0584222-B1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE POULENC RORER INT (US) 1997-10-08 EP claimed