SCHEMBL23083245

SCHEMBL23083245

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3cccnc3)c2)NC(=O)N1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 20/20 0.86
ROCK1 Q13464 17/20 0.86
GRK5 P34947 14/20 0.86
GRK1 Q15835 5/20 0.86

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
SCHEMBL17525399 0.93 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525422 0.91 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525424 0.88 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525411 0.88 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525400 0.88 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525384 0.88 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525387 0.87 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525425 0.87 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL29705818 0.87 GRK2 (1.00) GRK2ROCK1GRK5GRK1
SCHEMBL17525423 0.87 GRK2 (1.00) GRK2ROCK1GRK5GRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
WO-2021046225-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-11 WO disclosed