SCHEMBL23635154

SCHEMBL23635154

CC1=C(c2cc(N3CCN(C)CC3)cc(S(=O)(=O)C3CC3)c2)C=CC(NC(=O)c2cnc(C)nc2)=C=C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.39
AKT1 P31749 16/20 0.39
MTOR P42345 5/20 0.38

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
SCHEMBL23635153 0.86 F10 (0.37)
SCHEMBL18979437 0.79 PIK3CA (0.52) PIK3CAAKT1MTOR
SCHEMBL18979453 0.77 PIK3CA (0.46) PIK3CAAKT1MTOR
SCHEMBL23635162 0.72 DYRK1A (0.34)
SCHEMBL23635155 0.70 LDLR (0.38)
SCHEMBL18996612 0.65 DYRK1A (0.48)
SCHEMBL17027812 0.65 PIK3CA (0.68) PIK3CAAKT1MTOR
SCHEMBL24187480 0.64 RAB9A (0.51)
SCHEMBL17027809 0.63 DYRK1A (0.42)
SCHEMBL17027820 0.63 TMEM97 (0.52) PIK3CAAKT1MTOR

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-3107909-B1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC INC (US) 2021-07-14 EP disclosed