SCHEMBL24742307

SCHEMBL24742307

COC(=O)NCCCNC(=O)c1nc(Nc2cc(C)[nH]n2)ccc1C1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.40
▸ AURKB Q96GD4 3/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ RET P07949 2/20 0.38
▸ IGF1R P08069 3/20 0.38
▸ EGFR P00533 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ PLK4 O00444 1/20 0.37

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
SCHEMBL24742489 0.87 AURKA (0.39) AURKAAURKBFGFR2FGFR3RIPK1
SCHEMBL24743112 0.80 RET (0.40) AURKAAURKBRETPLK4
SCHEMBL24741835 0.78 AURKA (0.45) AURKAIGF1R
SCHEMBL24742406 0.74 AURKA (0.43) AURKAAURKBRETIGF1R
SCHEMBL24742405 0.74 RET (0.39) AURKAAURKBRETPLK4
SCHEMBL24741818 0.72 AURKA (0.44) AURKAAURKBRETIGF1REGFR
SCHEMBL24742500 0.72 IGF1R (0.37) AURKAAURKBRETIGF1REGFR
SCHEMBL24743108 0.71 HDAC3 (0.45) AURKARET
SCHEMBL24743066 0.70 HDAC3 (0.44) AURKARETIGF1R
SCHEMBL24743111 0.69 RET (0.47) AURKARET

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-2022206888-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-10-06 — — WO disclosed
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