SCHEMBL26961121

SCHEMBL26961121

Ic1cn(CCN2C=CC=NC2)c2ccc(-c3ncccn3)cc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.32
▸ HTR1B P28222 3/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32

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
SCHEMBL26961123 0.79 FFAR4 (0.36) —
SCHEMBL20604957 0.78 KDR (0.39) HTR1AHTR1BDRD4DRD3
SCHEMBL20604816 0.76 ICMT (0.39) HTR1AHTR1BDRD4DRD3
SCHEMBL20604878 0.74 DYRK1A (0.41) —
SCHEMBL20604847 0.70 HASPIN (0.46) HTR1AHTR1BDRD4DRD3
SCHEMBL20604981 0.67 GRIN2B (0.44) —
SCHEMBL20605488 0.65 MCL1 (0.42) —
SCHEMBL20605078 0.65 GRIN2B (0.48) —
SCHEMBL20605167 0.65 ASH1L (0.33) —
SCHEMBL26581577 0.64 ICMT (0.41) HTR1AHTR1BDRD4DRD3

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
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
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