SCHEMBL3973920

SCHEMBL3973920

C#Cc1c2ccc(Br)cc2c(C#C)c2ccc(Br)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
METAP2 P50579 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 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
SCHEMBL3916073 0.80 ERN1 (0.38) CYP2A6MEN1KMT2ARXFP1
SCHEMBL6727220 0.73 ERN1 (0.34) JAK2METAP2CHEK1AURKADAPK3
SCHEMBL16158369 0.70 CYP2A6 (0.47) JAK2METAP2CHEK1AURKADAPK3
SCHEMBL23482885 0.69 APP (0.46) PRKD3MAP4K4CSF1RFLT3CLK2
SCHEMBL1413195 0.69 ERN1 (0.32) JAK2PDPK1AHRCSNK2A1MEN1
SCHEMBL7630201 0.68 CYP19A1 (0.39) MEN1KMT2A
SCHEMBL1478052 0.68 CYP19A1 (0.46) CYP2A6MEN1KMT2A
SCHEMBL13344155 0.67 PYCR1 (0.35) PYCR1
SCHEMBL1413175 0.66 LMNA (0.35) JAK2PDPK1MEN1KMT2ARXFP1
SCHEMBL11809997 0.66 CYP2A6 (0.40) CYP2A6AHRMEN1KMT2ARXFP1

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-7550760-B2 Polyacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2009-06-23 US disclosed
US-20070252138-A1 Polyacenes and electronic devices generated therefrom XEROX CORPORATION 2007-11-01 US disclosed