SCHEMBL6266172

SCHEMBL6266172

COc1cc2nc(N(Cl)c3ccc(F)cc3)ncc2cc1OCCn1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ QPCT Q16769 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL5618725 0.83 EHMT2 (0.51) EGFRFGFR1FLT1KDR
SCHEMBL6266311 0.81 EGFR (0.44) EGFRKDRALDH1A1PDGFRBTDP1
SCHEMBL6266570 0.80 EGFR (0.46) EGFRFGFR1FLT1KDRQPCT
SCHEMBL6269488 0.80 EGFR (0.42) EGFRALDH1A1PDGFRBKDM4EQPCT
SCHEMBL6268116 0.80 EHMT2 (0.57) —
SCHEMBL3727488 0.78 EGFR (0.49) EGFRFGFR1FLT1KDRCYP2D6
SCHEMBL8436900 0.76 EPHA2 (0.42) FGFR1KDRALDH1A1PDGFRBKDM4E
SCHEMBL8438071 0.76 KDR (0.38) EGFRKDRALDH1A1PDGFRBKDM4E
SCHEMBL8444662 0.75 EPHA2 (0.44) KDRALDH1A1PDGFRBKDM4ECYP3A4
SCHEMBL11424 0.74 PDGFRB (0.40) EGFRALDH1A1PDGFRBTDP1KDM4E

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
WO-2005048928-A2 METHODS FOR TREATING VIRAL INFECTION GEORGE MASON INTELLECTUAL PROPERTY (US) 2005-06-02 — — WO disclosed
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