SCHEMBL24458853

SCHEMBL24458853

COc1cc(-c2c(C)n(C)c3ncnc(N)c23)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.47
▸ KIF5B P33176 1/20 0.47
▸ DYRK1A Q13627 1/20 0.45
▸ SRC P12931 17/20 0.44
▸ ABL1 P00519 14/20 0.44
▸ PIK3CD O00329 12/20 0.44
▸ EGFR P00533 12/20 0.44
▸ HCK P08631 12/20 0.44
▸ PIK3CA P42336 12/20 0.44
▸ PIK3CB P42338 12/20 0.44
▸ MTOR P42345 12/20 0.44
▸ PIK3CG P48736 12/20 0.44
▸ EPHB4 P54760 12/20 0.44
▸ PRKDC P78527 12/20 0.44
▸ KDR P35968 11/20 0.44
▸ PI4KB Q9UBF8 11/20 0.44
▸ LIMK1 P53667 1/20 0.41

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
SCHEMBL24458871 0.88 RET (0.47) RETKIF5BDYRK1ASRCABL1
SCHEMBL22675996 0.80 SRC (0.53) SRCABL1PIK3CDEGFRHCK
SCHEMBL24458348 0.78 RET (0.56) RETKIF5BDYRK1ASRCABL1
SCHEMBL130481 0.78 PIK3CD (0.71) SRCABL1PIK3CDEGFRHCK
SCHEMBL29552386 0.77 RET (0.44) RETKIF5BDYRK1ASRCABL1
SCHEMBL29552528 0.76 RET (0.43) RETKIF5BDYRK1ASRCABL1
SCHEMBL21467054 0.73 ABL1 (0.64) SRCABL1PIK3CDEGFRHCK
SCHEMBL22677178 0.73 KDR (0.47) RETDYRK1ASRCABL1PIK3CD
SCHEMBL31523756 0.71 RET (0.48) RETKIF5BKDR
SCHEMBL18521742 0.71 ERBB2 (0.46) SRCABL1EGFRHCKKDR

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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