SCHEMBL31240722

SCHEMBL31240722

Fc1cc(-c2cc3c(Cl)ccnc3[nH]2)cc(CN2CCNCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 6/20 0.56
▸ CDC7 O00311 3/20 0.56
▸ PIM1 P11309 3/20 0.56
▸ CXCR4 P61073 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM5C P41229 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ CCNT1 O60563 2/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ SOS1 Q07889 1/20 0.34

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
SCHEMBL31240676 0.82 CDK9 (0.39) CDK9CDC7PIM1HRH4HRH3
SCHEMBL31240703 0.81 TBK1 (0.49) CCNKCDK12
SCHEMBL31240691 0.80 CDK9 (0.52) CDK9CDC7PIM1CDK1CCNT1
SCHEMBL31240575 0.79 MAP3K11 (0.41) CDK9CDC7PIM1CDK1CDK2
SCHEMBL31240380 0.79 CLK2 (0.41) CDK9CDC7PIM1HRH4HRH3
SCHEMBL31240799 0.77 CDK9 (0.42) CDK9CDC7PIM1CDK1CDK2
SCHEMBL31240636 0.75 CDK9 (0.40) CDK9CDC7PIM1CCNT1
SCHEMBL31240929 0.74 CDK9 (0.49) CDK9CDC7PIM1CDK1CDK2
SCHEMBL31240785 0.74 CDK9 (0.47) CDK9CDC7PIM1CDK1CCNT1
SCHEMBL31240630 0.72 CDC7 (0.52) CDK9CDC7PIM1CDK1RIPK1

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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