SCHEMBL27775786

SCHEMBL27775786

O=C(Oc1ccc(F)c(-c2ncnc3c(Cl)cccc23)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGES O14684 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
KMO O15229 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL3510252 0.84 KMO (0.49) KMT2AMEN1POLBKMO
SCHEMBL3350743 0.82 NR1H2 (0.46) SMN1; SMN2EGFR
SCHEMBL2446897 0.80 FGFR2 (0.41) KMT2AMEN1PTGESKDM4ELMNA
SCHEMBL2448153 0.75 NR1H2 (0.40) KMT2AMAPTMEN1KDM4EHPGD
SCHEMBL2446322 0.73 NR1H3 (0.46) EGFR
SCHEMBL3509660 0.73 MAP4K4 (0.39) EGFR
SCHEMBL2449201 0.73 FFAR4 (0.43)
SCHEMBL27666473 0.73 KMT2A (0.58) KMT2AMAPTMEN1TDP1POLB
SCHEMBL3507653 0.72 EGFR (0.36) EGFR
SCHEMBL3507103 0.71 NR1H2 (0.49)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679311-A Quinazoline compound WYETH CORP 2010-03-24 CN claimed
CN-101679311-A Quinazoline compound WYETH CORP 2010-03-24 CN disclosed