SCHEMBL7861691

SCHEMBL7861691

Bc1cc2ncnc(C)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.44
EGFR P00533 11/20 0.43
SRC P12931 2/20 0.43
GAK O14976 1/20 0.43
KDR P35968 3/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
ENPP1 P22413 2/20 0.42
CSF1R P07333 2/20 0.41
RET P07949 1/20 0.40
CLK1 P49759 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 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
SCHEMBL20051025 0.86 LCK (0.46) LCKEGFRSRCGAKKDR
SCHEMBL1260737 0.85 ENPP1 (0.54) LCKEGFRSRCGAKKDR
SCHEMBL12779104 0.82 KDR (0.48) LCKEGFRSRCGAKKDR
SCHEMBL11315816 0.79 EGFR (0.52) LCKEGFRGAKKDRRET
SCHEMBL20050180 0.79 KDR (0.43) LCKEGFRSRCGAKKDR
SCHEMBL24393302 0.77 ENPP1 (0.54) LCKEGFRKDRENPP1CSF1R
SCHEMBL24393297 0.77 ENPP1 (0.70) LCKEGFRSRCKDRENPP1
SCHEMBL24009138 0.76 EGFR (0.54) EGFRSRCKDRPDGFRBENPP1
SCHEMBL19381685 0.76 EGFR (0.50) LCKEGFRSRCGAKKDR
SCHEMBL20355006 0.76 EGFR (0.46) LCKEGFRSRCGAKKDR

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-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed