SCHEMBL29552386

SCHEMBL29552386

COc1cc(-c2c(C#CC3CNC3)n(C)c3ncnc(N)c23)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.44
▸ KIF5B P33176 2/20 0.44
▸ SRC P12931 14/20 0.41
▸ ABL1 P00519 13/20 0.41
▸ EGFR P00533 12/20 0.41
▸ KDR P35968 11/20 0.41
▸ PIK3CD O00329 10/20 0.41
▸ HCK P08631 10/20 0.41
▸ PIK3CA P42336 10/20 0.41
▸ PIK3CB P42338 10/20 0.41
▸ MTOR P42345 10/20 0.41
▸ PIK3CG P48736 10/20 0.41
▸ EPHB4 P54760 10/20 0.41
▸ PRKDC P78527 10/20 0.41
▸ PI4KB Q9UBF8 9/20 0.41
▸ TGFBR1 P36897 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ ABL2 P42684 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ CCDC6 Q16204 1/20 0.36

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
SCHEMBL29552528 0.91 RET (0.43) RETKIF5BSRCABL1EGFR
SCHEMBL31523756 0.79 RET (0.48) RETKIF5BKDR
SCHEMBL24458389 0.79 RET (0.48) RETKIF5BKDR
SCHEMBL24458601 0.78 RET (0.49) RETKIF5BKDR
SCHEMBL24459026 0.78 SRC (0.50) RETKIF5BSRCABL1EGFR
SCHEMBL24458871 0.77 RET (0.47) RETKIF5BSRCABL1EGFR
SCHEMBL24458853 0.77 RET (0.47) RETKIF5BSRCABL1EGFR
SCHEMBL24458900 0.77 RET (0.46) RETKIF5BKDR
SCHEMBL24458503 0.76 RET (0.45) RETKIF5BKDR
SCHEMBL24458531 0.76 RET (0.45) RETKIF5BKDR

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
EP-4247816-A1 SRC INHIBITORS AND USES THEREOF Relay Therapeutics, Inc. (US) 2023-09-27 — — EP disclosed
WO-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
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