SCHEMBL22677234

SCHEMBL22677234

CCC(=O)Nc1ccc(-c2c(-c3ccc(C(=O)N4CC5CCC4C5)cc3)c3c(N)ncnc3n2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.41
▸ FGFR1 P11362 2/20 0.40
▸ FGFR2 P21802 2/20 0.40
▸ FGFR4 P22455 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ RIPK2 O43353 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RET P07949 4/20 0.37
▸ NEK7 Q8TDX7 1/20 0.35
▸ CCNK O75909 2/20 0.35
▸ CDK12 Q9NYV4 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ ERBB3 P21860 2/20 0.35
▸ TEK Q02763 2/20 0.35
▸ ERBB4 Q15303 2/20 0.35

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
SCHEMBL22676463 0.89 FGFR1 (0.51) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL25129380 0.89 FGFR1 (0.51) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL22677970 0.84 FGFR1 (0.52) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL30303378 0.84 FGFR1 (0.52) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL22676992 0.83 FGFR1 (0.52) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL22676379 0.82 HPGD (0.45) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL22677825 0.82 FGFR1 (0.50) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL22676919 0.80 FGFR1 (0.47) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL25129235 0.79 FGFR1 (0.43) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL22676166 0.78 FGFR1 (0.52) BTKFGFR1FGFR2FGFR4FGFR3

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-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
Send feedback