SCHEMBL16167690

SCHEMBL16167690

COc1cc2ncnc(Cc3ccccc3)c2cc1OC1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.66
IRAK1 P51617 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
EGFR P00533 3/20 0.48
HRH1 P35367 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
LCK P06239 1/20 0.46
NSD2 O96028 1/20 0.46

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
SCHEMBL6183340 0.84 EGFR (0.61) KITEGFRKDM4ELMNAHPGD
SCHEMBL16167691 0.80 EGFR (0.70) EGFR
SCHEMBL16134405 0.80 KIT (1.00) KIT
SCHEMBL15911649 0.79 EGFR (0.71) EGFRLCK
SCHEMBL16167689 0.79 EGFR (0.53) KITEGFR
SCHEMBL14506813 0.78 ENPP1 (0.56) KITEGFR
SCHEMBL31193365 0.78 ENPP1 (0.56) KITEGFR
SCHEMBL29972027 0.78 KIT (0.52) KITIRAK1IRAK4EGFRKDM4E
Hydrochloric Acid SCHEMBL23355322 0.77 ENPP1 (0.55) KITEGFR
SCHEMBL14001701 0.76 EGFR (0.73) KITEGFR

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-8859767-B2 Method for preparing 1-(4-(4-(3,4-dichloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)-prop-2-en-1-one hydrochloride and intermediates used therein HANMI SCIENCE CO., LTD (KR) 2014-10-14 US disclosed