SCHEMBL31240649

SCHEMBL31240649

N#Cc1cc(-c2cc3c(Cl)ccnc3[nH]2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 12/20 0.56
▸ CDC7 O00311 2/20 0.48
▸ PIM1 P11309 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ LRRK2 Q5S007 2/20 0.41
▸ NUDT1 P36639 1/20 0.39
▸ CCNB2 O95067 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNB3 Q8WWL7 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 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
SCHEMBL31240630 0.77 CDC7 (0.52) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL31240784 0.77 TBK1 (0.53) TBK1CDC7PIM1CDK9NUDT1
SCHEMBL31240559 0.75 TBK1 (0.58) TBK1
SCHEMBL31240691 0.74 CDK9 (0.52) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL17289774 0.72 TBK1 (1.00) TBK1
SCHEMBL17306356 0.72 TBK1 (0.82) TBK1CDC7PIM1CDK9
SCHEMBL31240848 0.72 CDC7 (0.59) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL16041244 0.72 CDC7 (0.59) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL31240593 0.72 CDC7 (0.59) CDC7PIM1CDK9CCNB2CDK1
SCHEMBL31240779 0.72 CDK9 (0.47) CDC7PIM1CDK9

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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