SCHEMBL30911583

SCHEMBL30911583

COC1CCN(c2cc(Cl)ncc2I)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 4/20 0.38
▸ ATRIP Q8WXE1 2/20 0.38
▸ GPR6 P46095 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ PIK3CA P42336 6/20 0.35
▸ MTOR P42345 4/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.32

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
SCHEMBL30911502 0.82 ALDH1A1 (0.33) ATRGPR6ACACBPIK3CAALDH1A1
SCHEMBL30911486 0.81 IRAK4 (0.39) ATRATRIPGPR6PIK3CAALDH1A1
SCHEMBL30911592 0.78 ATR (0.40) ATRATRIPGPR6PIK3CAMTOR
SCHEMBL30911690 0.78 IRAK4 (0.43) ATRGPR6ACACBPIK3CAMTOR
SCHEMBL30911635 0.77 KDM4E (0.45) ATR
SCHEMBL31262589 0.77 KDM4E (0.39) GPR6PIK3CAMTORMAP4K4ALDH1A1
SCHEMBL30911509 0.77 IRAK4 (0.41) PIK3CAMTOR
SCHEMBL30911789 0.77 INSR (0.43) ATREGFR
SCHEMBL30911597 0.75 IRAK4 (0.41) ATRACACBAOC3
SCHEMBL30911787 0.75 TYMP (0.40) GPR6PIK3CAMTOR

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-117980297-A Substituted aminopyridine compounds as EGFR inhibitors 柳韩洋行 2024-05-03 — — CN disclosed
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