SCHEMBL29490232

SCHEMBL29490232

Cc1nc(N[C@@H](C)c2cccc(I)c2)c2cc(C)oc2n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.50
▸ KDR P35968 8/20 0.50
▸ PDGFRB P09619 4/20 0.46
▸ SOS1 Q07889 11/20 0.43
▸ KRAS P01116 6/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22862611 1.00 EGFR (0.50) EGFRKDRPDGFRBSOS1KRAS
SCHEMBL22862610 0.88 SOS1 (0.53) EGFRKDRPDGFRBSOS1
SCHEMBL29490225 0.86 EGFR (0.50) EGFRKDRPDGFRBSOS1KRAS
SCHEMBL22862686 0.86 EGFR (0.50) EGFRKDRPDGFRBSOS1KRAS
SCHEMBL22862609 0.86 SOS1 (0.59) EGFRKDRPDGFRBSOS1KRAS
SCHEMBL29490269 0.86 SOS1 (0.59) EGFRKDRPDGFRBSOS1KRAS
SCHEMBL22862880 0.80 SOS1 (0.51) EGFRKDRPDGFRBSOS1
SCHEMBL22862730 0.80 SOS1 (0.51) EGFRKDRPDGFRBSOS1
SCHEMBL22862964 0.79 EGFR (0.50) EGFRKDRPDGFRBSOS1KRAS
SCHEMBL29490226 0.79 EGFR (0.50) EGFRKDRPDGFRBSOS1KRAS

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
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
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