SCHEMBL30957980

SCHEMBL30957980

COc1cc(C2CCN(C3COC3)CC2)ccc1Nc1ncccn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.53
▸ LRRK2 Q5S007 2/20 0.47
▸ ALK Q9UM73 4/20 0.46
▸ INSR P06213 2/20 0.46
▸ NPM1 P06748 2/20 0.46
▸ CAMK2D Q13557 1/20 0.45
▸ TLR9 Q9NR96 3/20 0.44
▸ TLR8 Q9NR97 3/20 0.44
▸ TLR7 Q9NYK1 3/20 0.44
▸ MAPK7 Q13164 1/20 0.44
▸ IGF1R P08069 1/20 0.43
▸ MAP3K12 Q12852 1/20 0.43

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
SCHEMBL519780 0.79 ALK (0.79) ALKINSRNPM1
SCHEMBL15444830 0.78 EGFR (0.57) EGFRALKINSRNPM1CAMK2D
SCHEMBL30957984 0.78 EGFR (0.63) EGFRALKNPM1CAMK2DIGF1R
SCHEMBL17197381 0.77 QDPR (0.46) EGFRALKINSRTLR9TLR8
SCHEMBL18778514 0.73 EGFR (0.82) EGFR
SCHEMBL30957983 0.73 TTK (0.61) EGFRLRRK2ALKINSRNPM1
SCHEMBL520447 0.72 ALK (0.77) ALKINSRNPM1
SCHEMBL19910021 0.70 MAP3K12 (0.63) LRRK2TLR9TLR8TLR7MAP3K12
SCHEMBL31706475 0.70 TLR9 (0.47) EGFRLRRK2TLR9TLR8TLR7
SCHEMBL3720414 0.70 INSR (0.67) EGFRLRRK2ALKINSRMAPK7

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-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 — — CN disclosed
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