SCHEMBL28962458

SCHEMBL28962458

COc1cc2nc(N(Cl)c3ccc(F)cc3)ncc2cc1OCCCC1CNCCO1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 14/20 0.45
▸ ADRA2C P18825 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ KIT P10721 3/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 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
SCHEMBL8438071 0.86 KDR (0.38) EPHA2KDREPHB4CHEK1CHEK2
SCHEMBL8436900 0.83 EPHA2 (0.42) EPHA2KDREPHB4CHEK1CHEK2
SCHEMBL8444662 0.81 EPHA2 (0.44) EPHA2KDREPHB4CHEK1CHEK2
SCHEMBL6269488 0.78 EGFR (0.42) —
SCHEMBL3727488 0.77 EGFR (0.49) KDREPHB4CHEK2KIT
SCHEMBL6266311 0.77 EGFR (0.44) KDR
SCHEMBL6266570 0.76 EGFR (0.46) EPHA2KDREPHB4
SCHEMBL8444635 0.76 EPHA2 (0.36) EPHA2KDREPHB4KIT
SCHEMBL6268116 0.76 EHMT2 (0.57) —
SCHEMBL5618725 0.75 EHMT2 (0.51) EPHA2KDREPHB4

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
CN-112955137-A Combination therapy 米拉蒂治疗股份有限公司 2021-06-11 — — CN claimed
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