SCHEMBL31240784

SCHEMBL31240784

N#Cc1cccc(-c2cc3c(Cl)ccnc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.53
▸ CDK9 P50750 3/20 0.50
▸ CDC7 O00311 3/20 0.50
▸ PIM1 P11309 2/20 0.50
▸ IKBKB O14920 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ CCNT1 O60563 1/20 0.46
▸ NUDT1 P36639 1/20 0.46
▸ TDO2 P48775 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ NEK1 Q96PY6 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
SCHEMBL20927949 0.84 TBK1 (0.53) TBK1CDK9CDC7PIM1IKBKB
SCHEMBL16041244 0.80 CDC7 (0.59) CDK9CDC7PIM1CCNB2CDK1
SCHEMBL31240593 0.80 CDC7 (0.59) CDK9CDC7PIM1CCNB2CDK1
SCHEMBL31240688 0.80 CDK9 (0.50) CDK9CDC7PIM1CCNT1CCNB2
SCHEMBL31240751 0.80 CCNB2 (0.61) CDK9CDC7PIM1CCNB2CDK1
SCHEMBL31240649 0.77 TBK1 (0.56) TBK1CDK9CDC7PIM1NUDT1
SCHEMBL20765227 0.76 SCN2A (0.50) CDK9CDC7PIM1TDO2CCNB2
SCHEMBL31240562 0.76 CDK9 (0.47) CDK9CDC7PIM1CCNT1CCNB2
SCHEMBL2444894 0.76 CCNB2 (0.64) CDK9CDC7PIM1IKBKBCHUK
SCHEMBL30380759 0.76 SCN2A (0.50) CDK9CDC7PIM1TDO2CCNB2

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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