Sugi Predict

Sugi Predict / Compounds / SCHEMBL24900795

SCHEMBL24900795

SCHEMBL24900795

COc1cnc(Nc2ccc(N(C)CCN(C)C)c(NC(C)=O)c2)nc1-c1cn(C)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.64
▸ KCNH2 Q12809 3/20 0.63
▸ IGF1R P08069 2/20 0.62
▸ ERBB2 P04626 1/20 0.58
▸ ERBB3 P21860 1/20 0.58
▸ ERBB4 Q15303 1/20 0.58

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
SCHEMBL24900465 0.91 EGFR (0.68) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL30221613 0.90 EGFR (0.65) EGFRKCNH2IGF1R
SCHEMBL30221338 0.90 EGFR (0.60) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL24900840 0.90 EGFR (0.65) EGFRKCNH2IGF1R
SCHEMBL24900772 0.90 EGFR (0.60) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL24900771 0.88 EGFR (0.50) EGFRKCNH2IGF1RERBB2ERBB3
SCHEMBL30221274 0.88 EGFR (0.58) EGFRKCNH2IGF1R
SCHEMBL24900573 0.88 EGFR (0.58) EGFRKCNH2IGF1R
SCHEMBL24900564 0.87 EGFR (0.55) EGFRKCNH2IGF1R
SCHEMBL24900606 0.87 EGFR (0.63) EGFRKCNH2IGF1RERBB2ERBB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 — — WO disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 — — WO disclosed
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