SCHEMBL31601903

SCHEMBL31601903

CC#Cc1cnc2c(N(CC(=O)Nc3c(N)ccc(F)c3F)Cc3ccc(OC)cc3)cc(-c3cnc(N)nc3)nn12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CACNA1H O95180 1/20 0.31

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
SCHEMBL31601775 0.92 HDAC3 (0.31) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL31601723 0.85 WNT3A (0.36) LMNAMAPT
SCHEMBL31601945 0.84 CDC25A (0.35) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL31601866 0.81 NR1D1 (0.33) LMNA
SCHEMBL31601925 0.76 NPC1 (0.34) LMNA
SCHEMBL31601924 0.75 NR1D1 (0.34) —
SCHEMBL31601913 0.73 HDAC2 (0.35) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL31601900 0.73 AKT1 (0.35) LMNAMAPT
SCHEMBL31601989 0.73 ALDH1A1 (0.32) —
SCHEMBL31601881 0.73 MEN1 (0.33) HDAC1HDAC3HDAC2HDAC10NCOR2

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-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 — — WO disclosed
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