SCHEMBL30478200

SCHEMBL30478200

Cc1cc(C#N)ncc1NC1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.43
▸ BRD4 O60885 4/20 0.41
▸ ATAD2 Q6PL18 4/20 0.41
▸ BPTF Q12830 2/20 0.41
▸ NSD2 O96028 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ NRAS P01111 1/20 0.37
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL30478350 0.76 PIK3CA (0.48) CHEK1BRD4ATAD2BPTFHRH4
SCHEMBL30478179 0.75 CHEK1 (0.43) CHEK1BRD4ATAD2BPTF
SCHEMBL20929469 0.70 JAK2 (0.40) CHEK1
SCHEMBL17961774 0.70 KDM4E (0.46) CHEK1HRH4HRH3HRH2
SCHEMBL17961772 0.70 KDM4E (0.46) CHEK1HRH4HRH3HRH2
SCHEMBL620554 0.69 CHEK1 (0.64) CHEK1HRH4HRH3HRH2
SCHEMBL620553 0.69 CHEK1 (0.64) CHEK1HRH4HRH3HRH2
SCHEMBL25271299 0.69 CHEK1 (0.47) CHEK1
SCHEMBL25271300 0.69 CHEK1 (0.47) CHEK1
SCHEMBL30450450 0.69 CHEK1 (0.47) CHEK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 — — EP claimed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 — — WO claimed
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 — — EP disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 — — WO disclosed
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