SCHEMBL22459946

SCHEMBL22459946

CCN(CCCOc1cc(C)cc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c1)C1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.55
▸ INSR P06213 8/20 0.54
▸ IGF1R P08069 8/20 0.54
▸ ALK Q9UM73 8/20 0.54
▸ MAP4K1 Q92918 5/20 0.52
▸ AURKA O14965 1/20 0.51
▸ ROS1 P08922 1/20 0.51
▸ EML4 Q9HC35 1/20 0.51

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
SCHEMBL22460082 0.82 PTK2 (0.51) EGFRINSRIGF1RALKAURKA
SCHEMBL22460083 0.81 ALK (0.51) EGFRINSRIGF1RALKMAP4K1
SCHEMBL24565166 0.80 EGFR (0.55) EGFRALKROS1
SCHEMBL22460081 0.77 ALK (0.49) EGFRINSRIGF1RALKMAP4K1
SCHEMBL29833019 0.75 EGFR (0.64) EGFRINSRIGF1RALKMAP4K1
SCHEMBL28685651 0.75 EGFR (0.61) EGFRINSRIGF1RALKMAP4K1
SCHEMBL15442490 0.75 INSR (0.78) EGFRINSRIGF1RALKMAP4K1
SCHEMBL22460085 0.75 ALK (0.50) EGFRINSRIGF1RALKMAP4K1
SCHEMBL29833000 0.74 EGFR (0.74) EGFRINSRIGF1RALKMAP4K1
SCHEMBL22460072 0.74 INSR (0.52) EGFRINSRIGF1RALKMAP4K1

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
WO-2020188467-A1 CONDENSED TRICYCLIC COMPOUND USED AS KINASE INHIBITOR 杭州英创医药科技有限公司 2020-09-24 — — WO disclosed
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