SCHEMBL28465695

SCHEMBL28465695

COc1cc(-c2ccn(CCN3CCC(N(C)C)CC3)n2)ccc1Cc1ncc(C)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.64
▸ PTK6 Q13882 6/20 0.64
▸ FYN P06241 6/20 0.64
▸ LYN P07948 5/20 0.64
▸ HCK P08631 4/20 0.64
▸ FRK P42685 4/20 0.64
▸ BLK P51451 4/20 0.64
▸ ABL1 P00519 6/20 0.40
▸ KIT P10721 1/20 0.37
▸ LCK P06239 4/20 0.36
▸ YES1 P07947 4/20 0.36
▸ FGR P09769 4/20 0.36
▸ NR5A2 O00482 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ RET P07949 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ FGFR1 P11362 2/20 0.33

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
SCHEMBL18258358 0.78 SRC (1.00) SRCPTK6FYNLYNHCK
SCHEMBL20132579 0.72 PTK6 (0.62) SRCPTK6FYNLYNHCK
SCHEMBL31630530 0.64 FYN (0.45) SRCPTK6FYNLYNHCK
SCHEMBL18250093 0.64 IGF1R (0.41) SRCPTK6FYNLYNHCK
SCHEMBL18250079 0.64 MTNR1A (0.47) SRCPTK6FYNLYNHCK
SCHEMBL221350 0.61 NOS1 (0.67) SRCPTK6FRKABL1KIT
SCHEMBL2745009 0.61 NOS3 (0.48) SRCPTK6FRKABL1KIT
SCHEMBL17003835 0.59 PDE4D (0.56) —
SCHEMBL20132684 0.59 SRC (0.75) SRCPTK6FYNLYNHCK
SCHEMBL18250073 0.58 MTNR1A (0.41) SRCPTK6FYNLYNHCK

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-107849050-B Compound (I) 爱丁堡大学董事会 2020-10-13 — — CN disclosed
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