SCHEMBL30957984

SCHEMBL30957984

COc1cc(C2CCNCC2)ccc1Nc1ncccn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.63
▸ ALK Q9UM73 8/20 0.61
▸ MET P08581 1/20 0.55
▸ IGF1R P08069 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ FLT4 P35916 2/20 0.49
▸ PTK2 Q05397 2/20 0.49
▸ NPM1 P06748 1/20 0.49
▸ CAMK2D Q13557 1/20 0.49

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
SCHEMBL21846967 0.79 EGFR (1.00) EGFRALKMETPTK2
SCHEMBL30957980 0.78 EGFR (0.53) EGFRALKIGF1RNPM1CAMK2D
SCHEMBL15244057 0.78 IGF1R (0.53) EGFRALKMETIGF1RKCNH2
SCHEMBL15728552 0.78 ALK (0.52) EGFRALKMETIGF1RKCNH2
SCHEMBL18181661 0.77 ALK (1.00) EGFRALKMET
SCHEMBL26611521 0.77 EGFR (0.72) EGFRALKMETIGF1RKCNH2
SCHEMBL3764899 0.76 IGF1R (0.63) EGFRALKMETIGF1RKCNH2
SCHEMBL2473309 0.76 PDE4B (0.64) —
SCHEMBL520365 0.76 ALK (0.80) ALKKCNH2PTK2NPM1
SCHEMBL15725873 0.75 EGFR (0.49) EGFRALKMETIGF1RKCNH2

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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