SCHEMBL5618725

SCHEMBL5618725

COc1cc2nc(N(Cl)c3ccc(F)cc3)ncc2cc1OCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 5/20 0.51
▸ EHMT1 Q9H9B1 4/20 0.51
▸ TLR7 Q9NYK1 5/20 0.48
▸ TLR9 Q9NR96 4/20 0.48
▸ EGFR P00533 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ CSF1R P07333 2/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ EPHB4 P54760 1/20 0.41

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
SCHEMBL6268116 0.95 EHMT2 (0.57) EHMT2EHMT1TLR7TLR9
SCHEMBL6266570 0.92 EGFR (0.46) EHMT2EHMT1EGFRKDRFGFR1
SCHEMBL3727488 0.87 EGFR (0.49) EHMT2EHMT1TLR7TLR9EGFR
SCHEMBL6266172 0.83 EGFR (0.46) EGFRKDRFGFR1FLT1
SCHEMBL6269488 0.82 EGFR (0.42) EHMT2EHMT1TLR7TLR9EGFR
SCHEMBL6266311 0.81 EGFR (0.44) EHMT2EHMT1TLR7TLR9EGFR
SCHEMBL8444662 0.81 EPHA2 (0.44) EHMT2EHMT1TLR7TLR9KDR
SCHEMBL8436900 0.80 EPHA2 (0.42) EHMT2EHMT1TLR7TLR9KDR
SCHEMBL8438071 0.80 KDR (0.38) EHMT2EHMT1TLR7TLR9EGFR
SCHEMBL8444635 0.75 EPHA2 (0.36) KDRFLT1EPHA2EPHB4

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
WO-2007013950-A9 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH INC (US) 2007-03-29 — — WO disclosed
WO-2007013950-A2 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2007-02-01 — — WO disclosed
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