SCHEMBL4595796

SCHEMBL4595796

COc1cc2c(-c3ccc4oc(N)nc4c3N)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.49
EGFR P00533 11/20 0.48
KDR P35968 7/20 0.48
AURKA O14965 6/20 0.48
FLT4 P35916 5/20 0.48
PDGFRB P09619 5/20 0.48
TEK Q02763 5/20 0.48
AURKB Q96GD4 5/20 0.48
ERBB2 P04626 4/20 0.48
FGFR1 P11362 2/20 0.47
FLT1 P17948 2/20 0.47
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
RET P07949 1/20 0.46
KIF5B P33176 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
SCHEMBL3951597 0.88 EGFR (0.48) KITEGFRKDRAURKAFLT4
SCHEMBL30891810 0.79 KDR (0.55) KITEGFRKDRAURKAFLT4
SCHEMBL26101967 0.79 KDR (0.55) KITEGFRKDRAURKAFLT4
Hydrochloric Acid SCHEMBL26101705 0.78 KDR (0.56) KITEGFRKDRAURKAFLT4
Hydrochloric Acid SCHEMBL30394719 0.78 KDR (0.56) KITEGFRKDRAURKAFLT4
Hydrochloric Acid SCHEMBL4493507 0.77 AURKA (0.54) EGFRKDRAURKAFLT4PDGFRB
SCHEMBL4423943 0.77 EHMT2 (0.59) KITEGFRKDRAURKAFLT4
SCHEMBL3952952 0.77 AURKA (0.51) EGFRKDRAURKAFLT4PDGFRB
Hydrochloric Acid SCHEMBL2191376 0.76 AURKA (0.51) EGFRKDRAURKAFLT4PDGFRB
SCHEMBL30891798 0.74 EGFR (0.61) KITEGFRKDRAURKAFLT4

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
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed