SCHEMBL4043471

SCHEMBL4043471

COc1ccc2c(c1)-c1n[nH]c(Nc3cc(SC(F)(F)F)ccc3OC)c1C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.39
CHEK1 O14757 8/20 0.36
KCNK2 O95069 2/20 0.35
KCNK10 P57789 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 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
SCHEMBL4044716 0.87 PDGFRB (0.47) PDGFRBCHEK1LMNAMEN1KMT2A
SCHEMBL4042554 0.82 CHEK1 (0.51) PDGFRBCHEK1LMNAMEN1KMT2A
SCHEMBL4044113 0.81 KMT2A (0.44) PDGFRBCHEK1LMNAMEN1KMT2A
SCHEMBL4045624 0.81 PDGFRB (0.47) PDGFRBCHEK1MEN1KMT2AGAA
SCHEMBL4052115 0.81 PDGFRB (0.47) PDGFRBCHEK1LMNAMEN1KMT2A
SCHEMBL4048672 0.79 HIF1A (0.47) PDGFRBCHEK1LMNAMEN1KMT2A
SCHEMBL4044321 0.79 EGFR (0.43) PDGFRBCHEK1LMNAMEN1KMT2A
SCHEMBL6247545 0.78 PDGFRB (0.44) PDGFRBCHEK1MEN1KMT2AMAPT
SCHEMBL4041812 0.77 PDGFRB (0.51) PDGFRBCHEK1
SCHEMBL4041092 0.76 PDGFRB (0.44) PDGFRBCHEK1MEN1KMT2AUSP2

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed