SCHEMBL6489451

SCHEMBL6489451

CSCCCOc1ccc2cncnc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.59
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
NCF1 P14598 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL2637564 0.81 EGFR (0.69) EGFRHDAC1HDAC6HDAC5PDGFRB
SCHEMBL30504578 0.79 EGFR (0.70) EGFRMAPTHTTHDAC1HDAC6
SCHEMBL4649110 0.79 EGFR (0.70) EGFRMAPTHTTHDAC1HDAC6
SCHEMBL5682759 0.78 EGFR (0.56) EGFRHDAC1HDAC6HDAC5NCF1
SCHEMBL29831918 0.78 EGFR (0.59) EGFRNPC1RAB9ATDP1NCF1
SCHEMBL7140894 0.77 EGFR (0.63) EGFRNPC1RAB9AMAPTTDP1
SCHEMBL28032867 0.75 HRH3 (0.62) EGFRNPC1RAB9A
SCHEMBL30241125 0.75 EGFR (1.00) EGFRNPC1RAB9APDGFRBPDGFRA
SCHEMBL668493 0.75 EGFR (1.00) EGFRNPC1RAB9APDGFRBPDGFRA
SCHEMBL29517021 0.75 EGFR (1.00) EGFRNPC1RAB9APDGFRBPDGFRA

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-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed