SCHEMBL26889354

SCHEMBL26889354

CC(C)(C)N1CCN(Cc2cc3c(Cl)ccnc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 7/20 0.45
▸ CDK12 Q9NYV4 7/20 0.45
▸ CDC7 O00311 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ DRD4 P21917 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ HRH4 Q9H3N8 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ PRKCI P41743 1/20 0.33

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
SCHEMBL26889338 0.86 CCNK (0.58) CCNKCDK12CDC7PIM1CDK9
SCHEMBL26889371 0.83 CCNK (0.45) CCNKCDK12CDC7PIM1CDK9
SCHEMBL26889301 0.83 CCNK (0.45) CCNKCDK12CDC7PIM1CDK9
SCHEMBL26889381 0.82 CCNK (0.54) CCNKCDK12HRH4METAP2
SCHEMBL26686575 0.81 CCNK (0.58) CCNKCDK12CDC7PIM1CDK9
SCHEMBL26889310 0.79 CCNK (0.42) CCNKCDK12CDC7PIM1CDK9
SCHEMBL26686642 0.74 AXL (0.41) CCNKCDK12CDC7PIM1CDK9
SCHEMBL16050712 0.73 CDK9 (0.43) CDC7PIM1CDK9
SCHEMBL26889101 0.73 AXL (0.40) CCNKCDK12CDC7PIM1CDK9
SCHEMBL26686599 0.73 DRD4 (0.43) CDK9DRD2DRD4DRD3

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-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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