SCHEMBL8704642

SCHEMBL8704642

COc1cc2ncnc(CNc3ccc(C)cc3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KIT P10721 1/20 0.53
EGFR P00533 10/20 0.52
CSF1R P07333 2/20 0.51
KDR P35968 4/20 0.51
HPGD P15428 2/20 0.50
CLK1 P49759 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 2/20 0.49
LCK P06239 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDGFRB P09619 1/20 0.48

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
Hydrochloric Acid SCHEMBL8502074 0.99 HTT (0.60) HTTKDM4EALDH1A1KITEGFR
SCHEMBL8709202 0.80 EGFR (0.65) HTTKDM4EALDH1A1EGFRCSF1R
SCHEMBL19792401 0.80 KDM4E (0.62) HTTKDM4EALDH1A1KITEGFR
Hydrochloric Acid SCHEMBL8501510 0.79 EGFR (0.66) HTTKDM4EALDH1A1EGFRCSF1R
SCHEMBL8708372 0.77 EGFR (0.67) EGFRCSF1RKDRABCG2KMT2A
SCHEMBL5473778 0.77 EGFR (0.80) EGFRKDRCLK1ABCG2LCK
Hydrochloric Acid SCHEMBL8503039 0.77 EGFR (0.66) EGFRCSF1RKDRABCG2LCK
Hydrochloric Acid SCHEMBL5473795 0.76 EGFR (0.80) EGFRKDRCLK1ABCG2LCK
SCHEMBL8177847 0.75 MAPK1 (0.62) HTTKDM4EEGFRCSF1RKDR
SCHEMBL2259233 0.75 ABCG2 (0.63) HTTKDM4EALDH1A1EGFRHPGD

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
US-5710158-A INHIBITORS OF PROTEIN TYROSINE KINASE AND EPIDERMAL GROWTH FACTOR RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-20 US claimed