SCHEMBL31240799

SCHEMBL31240799

CC(C)(C)NCc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 6/20 0.42
▸ CDC7 O00311 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PTK2 Q05397 1/20 0.33
▸ EGFR P00533 4/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ PRKX P51817 1/20 0.32

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
SCHEMBL31240691 0.83 CDK9 (0.52) CDK9CDC7PIM1EGFRMAPK14
SCHEMBL31240636 0.83 CDK9 (0.40) CDK9CDC7PIM1PTK2EGFR
SCHEMBL31240355 0.80 CDK9 (0.41) CDK9CDC7PIM1CYP2D6CCNT1
SCHEMBL31240785 0.80 CDK9 (0.47) CDK9CDC7PIM1EGFRMAPK14
SCHEMBL31240389 0.77 CLK2 (0.42) EGFRCLK2JAK3DYRK1A
SCHEMBL31240722 0.77 CDK9 (0.56) CDK9CDC7PIM1CDK2CCNT1
SCHEMBL31240630 0.75 CDC7 (0.52) CDK9CDC7PIM1GSK3BCDK5
SCHEMBL26889101 0.73 AXL (0.40) CDK9CDC7PIM1CYP1A2CYP2C8
SCHEMBL1777011 0.71 CDC7 (0.56) CDK9CDC7PIM1GSK3BCDK5
SCHEMBL31240664 0.69 CDK9 (0.48) CDK9CDC7PIM1EGFRMAPK14

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
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
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