SCHEMBL26889338

SCHEMBL26889338

CN1CCN(Cc2cc3c(Cl)ccnc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 5/20 0.58
▸ CDK12 Q9NYV4 5/20 0.58
▸ METAP2 P50579 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ ALK Q9UM73 2/20 0.44
▸ CDK9 P50750 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ KDM5C P41229 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL26889381 0.95 CCNK (0.54) CCNKCDK12METAP2HRH4ALK
SCHEMBL26889371 0.86 CCNK (0.45) CCNKCDK12METAP2CDK9PIM1
SCHEMBL26889301 0.86 CCNK (0.45) CCNKCDK12METAP2CDK9PIM1
SCHEMBL26889354 0.86 CCNK (0.45) CCNKCDK12METAP2HRH4CDK9
SCHEMBL26686575 0.84 CCNK (0.58) CCNKCDK12METAP2CDK9PIM1
SCHEMBL26889310 0.82 CCNK (0.42) CCNKCDK12CDK9PIM1CDC7
SCHEMBL24596893 0.82 CDK9 (0.57) ALKCDK9PIM1CDC7TNIK
SCHEMBL26889405 0.76 DRD2 (0.46) CCNKCDK12CDK9PIM1CDC7
SCHEMBL30571033 0.75 AXL (0.44) CCNKCDK12ALKCDK9PIM1
SCHEMBL3415919 0.75 AXL (0.44) CCNKCDK12ALKCDK9PIM1

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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