SCHEMBL28350751

SCHEMBL28350751

COc1cc2ncnc(Nc3ncccn3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.77
KDR P35968 6/20 0.73
AURKA O14965 3/20 0.71
EGFR P00533 4/20 0.70
KDM4E B2RXH2 1/20 0.67

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
SCHEMBL28354676 0.89 SRC (0.77) SRCKDRAURKAEGFR
SCHEMBL28882352 0.89 SRC (0.77) SRCKDRAURKAEGFR
SCHEMBL28354714 0.88 SRC (0.73) SRCKDRAURKAEGFR
SCHEMBL28350757 0.88 SRC (0.73) SRCKDRAURKAEGFR
SCHEMBL13529060 0.88 SRC (0.84) SRCKDRAURKAEGFR
SCHEMBL28350781 0.87 EGFR (0.76) SRCKDREGFR
SCHEMBL28350501 0.87 EGFR (0.76) SRCKDREGFR
SCHEMBL14216857 0.86 SRC (0.70) SRCKDRAURKAEGFRKDM4E
SCHEMBL28354308 0.86 SRC (0.77) SRCKDRAURKAEGFR
SCHEMBL28350517 0.86 SRC (0.77) SRCKDRAURKAEGFR

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
CN-110746398-A 4-heterocyclic substituted quinazoline derivative and preparation method and application thereof 刘沛友 2020-02-04 CN disclosed