SCHEMBL24992127

SCHEMBL24992127

C=CC(=O)Nc1ccc(-c2c3c4c(ncnc4n2C)NCc2cc(Oc4cccc(C)n4)ccc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 3/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ FGFR2 P21802 2/20 0.39
▸ FGFR3 P22607 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
▸ MAP2K7 O14733 2/20 0.38
▸ ERBB2 P04626 4/20 0.35
▸ BTK Q06187 7/20 0.35
▸ EGFR P00533 4/20 0.35
▸ CTSC P53634 1/20 0.35
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TGM1 P22735 1/20 0.35
▸ TGM3 Q08188 1/20 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
SCHEMBL25589708 0.94 ERBB2 (0.40) MAP2K7ERBB2BTKEGFRCTSC
SCHEMBL24992584 0.93 FGFR1 (0.38) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL25589193 0.93 FGFR4 (0.39) FGFR4FGFR1FGFR2FGFR3MAP2K7
SCHEMBL25589613 0.92 FGFR1 (0.37) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL25589195 0.92 FGFR1 (0.41) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL25589065 0.91 ERBB2 (0.36) FGFR4FGFR1FGFR2FGFR3MAP2K7
SCHEMBL25597424 0.91 MAP2K7 (0.37) FGFR4MAP2K7BTKEGFRCTSC
SCHEMBL25589813 0.91 MAP2K7 (0.37) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL25597153 0.91 FGFR4 (0.38) FGFR4FGFR1FGFR2FGFR3CYP3A4
SCHEMBL25589069 0.91 BTK (0.36) FGFR4FGFR1MAP2K7ERBB2BTK

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
WO-2023078413-A1 FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 微境生物医药科技(上海)有限公司 2023-05-11 — — WO disclosed
WO-2023011581-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-02-09 — — WO disclosed
Send feedback