SCHEMBL5345274

SCHEMBL5345274

COc1cc(Cc2ccnc3[nH]ccc23)c(F)cc1OCc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
FLT1 P17948 1/20 0.42
BRD4 O60885 1/20 0.40
CSF1R P07333 1/20 0.40
PLK1 P53350 1/20 0.39
NUDT1 P36639 1/20 0.39
ERBB2 P04626 1/20 0.38
EPHA2 P29317 1/20 0.38
PDE10A Q9Y233 2/20 0.37
CYP17A1 P05093 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
ABCB1 P08183 1/20 0.35
CHEK1 O14757 3/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL411641 0.85 FGFR1 (0.51) KDRFLT1BRD4CSF1RPLK1
SCHEMBL5328761 0.81 AURKB (0.39) KDRFLT1CSF1RNUDT1CCNK
SCHEMBL416754 0.78 MET (0.55) BRD4CSF1RCTSVCTSLLMNA
SCHEMBL14620821 0.76 FGFR1 (0.50) BRD4CSF1RKMT2ANPSR1CCNT1
SCHEMBL415103 0.76 FGFR1 (0.53) KDRFLT1BRD4CSF1REPHA2
SCHEMBL5322848 0.76 LMNA (0.52) CSF1RABCB1MEN1LMNAKMT2A
SCHEMBL414646 0.75 FGFR1 (0.49) KDRFLT1BRD4CSF1RPLK1
SCHEMBL415163 0.75 GPR84 (0.47) KDRBRD4CSF1R
SCHEMBL413608 0.72 FGFR1 (0.43) BRD4CSF1RKMT2ANPSR1CCNT1
SCHEMBL415740 0.71 GPR84 (0.51) BRD4CSF1RERBB2ABCB1

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
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed