SCHEMBL24197136

SCHEMBL24197136

C=CCCNc1ncnc(Nc2ccccc2)c1C=N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ MAP4K2 Q12851 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39

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
SCHEMBL24197038 0.74 ALDH1A1 (0.52) MAPK1MEN1GAAMAPTRAB9A
SCHEMBL20925388 0.72 CCNC (0.44) EGFRABL1AURKBTTBK1SRC
SCHEMBL13821142 0.70 ABL1 (0.50) EGFRABL1TTBK1TTBK2MAPK1
SCHEMBL7098162 0.69 ALDH1A1 (0.56) IDH1MEN1MAPTKMT2ALMNA
SCHEMBL18696318 0.66 TTBK1 (0.50) ABL1TTBK1TTBK2
SCHEMBL18696319 0.66 ABL1 (0.50) ABL1TTBK1TTBK2
SCHEMBL20925539 0.65 TTBK1 (0.44) EGFRDYRK1ADYRK1BTTBK1
SCHEMBL18696264 0.63 TTBK1 (0.49) ABL1TTBK1TTBK2
SCHEMBL24197158 0.61 HTT (0.56) EGFRMAPK1MEN1RAB9AKMT2A
SCHEMBL4734704 0.61 EGFR (0.58) EGFRABL1ERBB2MAP4K4PIM1

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-2022011171-A1 NOVEL COMPOUNDS AND METHODS FOR INCREASING KLOTHO GENE EXPRESSION KLOTHO THERAPEUTICS, INC. (US) 2022-01-13 — — WO disclosed
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