SCHEMBL29552575

SCHEMBL29552575

C=CC(=O)N1CCC(N2CC(F)(C#Cc3c(-c4ccc(Cl)c(OC)c4)c4c(N)ncnc4n3C)C2)CC1.COc1cc(-c2c(C#CC3(F)CN(C(=O)OC(C)(C)C)C3)n(C)c3ncnc(N)c23)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.43
▸ KIF5B P33176 1/20 0.43
▸ SRC P12931 6/20 0.43
▸ ABL1 P00519 4/20 0.41
▸ EGFR P00533 3/20 0.41
▸ ABL2 P42684 2/20 0.41
▸ FGFR2 P21802 8/20 0.41
▸ FGFR1 P11362 7/20 0.40
▸ FGFR4 P22455 6/20 0.40
▸ FGFR3 P22607 3/20 0.40
▸ ITK Q08881 1/20 0.40
▸ KDR P35968 2/20 0.39
▸ PTK6 Q13882 2/20 0.38

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
SCHEMBL24458406 0.94 RET (0.47) RETKIF5BEGFRFGFR2FGFR1
SCHEMBL24459052 0.89 RET (0.43) RETKIF5BSRCABL1EGFR
SCHEMBL29552163 0.89 RET (0.43) RETKIF5BSRCABL1EGFR
SCHEMBL31523732 0.84 BTK (0.48) SRCEGFRFGFR2FGFR1FGFR4
SCHEMBL24458905 0.84 BTK (0.48) SRCEGFRFGFR2FGFR1FGFR4
SCHEMBL24458601 0.82 RET (0.49) RETKIF5BFGFR2FGFR1FGFR4
SCHEMBL31523740 0.82 ITK (0.43) EGFRFGFR2FGFR1FGFR4FGFR3
SCHEMBL29552493 0.82 RET (0.44) RETKIF5BSRCABL1EGFR
SCHEMBL24459026 0.81 SRC (0.50) RETKIF5BSRCABL1EGFR
SCHEMBL29552667 0.80 SRC (0.43) RETKIF5BSRCABL1EGFR

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
Send feedback