SCHEMBL29985289

SCHEMBL29985289

COc1cc2c(NC(C)c3cccc(Br)c3)nc(C)nc2cc1OCCCCCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 10/20 0.72
▸ KRAS P01116 7/20 0.72
▸ EGFR P00533 8/20 0.59
▸ HDAC3 O15379 8/20 0.58
▸ HDAC4 P56524 8/20 0.58
▸ HDAC1 Q13547 8/20 0.58
▸ HDAC7 Q8WUI4 8/20 0.58
▸ HDAC2 Q92769 8/20 0.58
▸ HDAC10 Q969S8 8/20 0.58
▸ HDAC11 Q96DB2 8/20 0.58
▸ HDAC8 Q9BY41 8/20 0.58
▸ HDAC6 Q9UBN7 8/20 0.58
▸ HDAC9 Q9UKV0 8/20 0.58
▸ HDAC5 Q9UQL6 8/20 0.58
▸ ERBB2 P04626 3/20 0.58
▸ KDR P35968 2/20 0.50
▸ FBP1 P09467 1/20 0.48

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
SCHEMBL27041275 1.00 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27041257 1.00 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27041272 1.00 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL29486842 1.00 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL29486831 1.00 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27041260 1.00 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27057118 0.94 SOS1 (0.76) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL29486867 0.93 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL29486873 0.93 SOS1 (0.72) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27041264 0.91 SOS1 (0.71) SOS1KRASEGFRHDAC3HDAC4

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-2022197862-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-09-22 — — WO disclosed
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