SCHEMBL24773365

SCHEMBL24773365

C=CC(=O)Nc1ccc(-c2ncnc(N)c2-c2ccc(C(=O)N3CCCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.54
▸ EGFR P00533 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ BLK P51451 1/20 0.54
▸ ITK Q08881 1/20 0.54
▸ TGM2 P21980 3/20 0.48
▸ CCNK O75909 11/20 0.44
▸ CDK12 Q9NYV4 11/20 0.44
▸ ATR Q13535 2/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ CCNA2 P20248 4/20 0.43
▸ CDK2 P24941 4/20 0.43
▸ CDK7 P50613 4/20 0.43
▸ CCNH P51946 4/20 0.43
▸ MNAT1 P51948 4/20 0.43
▸ F13A1 P00488 2/20 0.43
▸ TGM1 P22735 2/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ FGFR4 P22455 1/20 0.42

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
SCHEMBL22676597 0.84 EGFR (0.50) BTKEGFRSRCBLKITK
SCHEMBL30303260 0.84 EGFR (0.50) BTKEGFRSRCBLKITK
SCHEMBL22676646 0.82 FGFR1 (0.53) BTKEGFRSRCBLKITK
SCHEMBL30303699 0.82 FGFR1 (0.53) BTKEGFRSRCBLKITK
SCHEMBL22676808 0.81 BTK (0.49) BTKEGFRSRCBLKITK
SCHEMBL25715673 0.80 CDK2 (0.45) BTKEGFRSRCBLKITK
SCHEMBL22138109 0.80 TGM2 (0.72) BTKEGFRSRCBLKITK
SCHEMBL14165308 0.79 BTK (0.72) BTKEGFRSRCBLKITK
SCHEMBL22055544 0.79 TGM2 (0.70) BTKEGFRSRCBLKITK
SCHEMBL29178719 0.78 BTK (0.50) BTKEGFRSRCBLKITK

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-2022206939-A1 HETEROCYCLIC COMPOUND SERVING AS FGFR INHIBITOR AND APPLICATION THEREOF 海南耀臻生物医药科技有限公司 2022-10-06 — — WO disclosed
Send feedback