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Sugi Predict / Compounds / SCHEMBL24458670

SCHEMBL24458670

SCHEMBL24458670

Cn1c(C#CC2CN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(-c2ccccn2)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.51
▸ EGFR P00533 3/20 0.51
▸ ABL1 P00519 2/20 0.47
▸ ABL2 P42684 2/20 0.47
▸ GPR119 Q8TDV5 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ TGFBR1 P36897 2/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL24458674 0.86 BTK (0.47) EGFRKDR
SCHEMBL24458698 0.86 SRC (0.47) SRCEGFRABL1ABL2TGFBR1
SCHEMBL29552410 0.86 SRC (0.47) SRCEGFRABL1ABL2TGFBR1
SCHEMBL24459022 0.84 SRC (0.49) SRCEGFRABL1ABL2RET
SCHEMBL24459026 0.83 SRC (0.50) SRCEGFRABL1ABL2TGFBR1
SCHEMBL24458936 0.78 FGFR2 (0.47) EGFRKDR
SCHEMBL24458346 0.78 SRC (0.51) SRCEGFRABL1ABL2KDR
SCHEMBL29552579 0.78 SRC (0.51) SRCEGFRABL1ABL2KDR
SCHEMBL24459024 0.77 BTK (0.51) SRCEGFRABL1RETKDR
SCHEMBL24458388 0.76 BTK (0.55) SRCEGFRABL1ABL2RET

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-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
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