SCHEMBL24565257

SCHEMBL24565257

CCN(CCCOc1ccc(OC)c(Nc2nc(Nc3ccccc3NS(C)(=O)=O)c3cc[nH]c3n2)c1)C1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 16/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ MAPK8 P45983 2/20 0.52
▸ EGFR P00533 1/20 0.45
▸ ALK Q9UM73 1/20 0.45

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
SCHEMBL24565262 0.92 MAP4K1 (0.57) MAP4K1IGF1RMAPK8
SCHEMBL24565304 0.89 JAK2 (0.45) MAP4K1IGF1RMAPK8EGFRALK
SCHEMBL24565236 0.86 IGF1R (0.58) MAP4K1IGF1RMAPK8
SCHEMBL24565244 0.85 IGF1R (0.59) MAP4K1IGF1RMAPK8
SCHEMBL24565479 0.80 ROS1 (0.59) EGFRALK
SCHEMBL24565201 0.78 ROS1 (0.59) EGFRALK
SCHEMBL24565166 0.75 EGFR (0.55) EGFRALK
SCHEMBL24565179 0.74 MAP4K1 (0.57) MAP4K1IGF1RMAPK8ALK
SCHEMBL24565324 0.73 IGF1R (0.59) MAP4K1IGF1RMAPK8
SCHEMBL24565260 0.73 EGFR (0.58) EGFRALK

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-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO disclosed
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