SCHEMBL24606019

SCHEMBL24606019

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1nc(Nc2ccn3ccnc3c2P(C)C)c2cc[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.51
▸ ALK Q9UM73 2/20 0.50
▸ IGF1R P08069 4/20 0.49
▸ INSR P06213 1/20 0.49
▸ MAP4K1 Q92918 7/20 0.47
▸ PTK2 Q05397 3/20 0.46
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44

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
SCHEMBL24606015 0.92 EGFR (0.44) EGFRALKIGF1RINSRMAP4K1
SCHEMBL29710725 0.90 EGFR (0.58) EGFRALKIGF1RINSRMAP4K1
SCHEMBL26630856 0.90 EGFR (0.58) EGFRALKIGF1RINSRMAP4K1
SCHEMBL24605983 0.89 ALK (0.63) ALKIGF1RINSRPTK2
SCHEMBL22804399 0.87 EGFR (0.63) EGFRALKIGF1RINSR
SCHEMBL24605929 0.86 INSR (0.50) EGFRALKIGF1RINSRPTK2
SCHEMBL24605951 0.83 PTK2 (0.52) EGFRALKPTK2
SCHEMBL24606022 0.82 EGFR (0.50) EGFRALKIGF1RINSRMAP4K1
SCHEMBL29710836 0.82 EGFR (0.49) EGFRALKIGF1RINSRMAP4K1
SCHEMBL30782763 0.82 ALK (0.45) EGFRALKIGF1RINSRMAP4K1

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-2022146027-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-07-07 — — WO disclosed
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