SCHEMBL30197895

SCHEMBL30197895

CC1=C(C(N)=O)C(c2ccc(Cl)cc2F)N=C(c2ccnc(Cl)c2)N1c1cc2cn[nH]c2cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.58
CYP3A4 P08684 6/20 0.58
CYP2D6 P10635 6/20 0.58
CYP2C9 P11712 2/20 0.58
RPS6KB1 P23443 2/20 0.58
RPS6KA1 Q15418 2/20 0.58
BTK Q06187 2/20 0.34
NOS1 P29475 1/20 0.31
DYRK1A Q13627 1/20 0.31
FYN P06241 1/20 0.31
SRC P12931 1/20 0.31
TEC P42680 1/20 0.31
ITK Q08881 1/20 0.31
TP53 P04637 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL4934586 0.80 ROCK1 (0.74) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4932798 0.73 ROCK1 (1.00) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL29620261 0.73 ROCK1 (1.00) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4935363 0.70 ROCK1 (1.00) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4936335 0.67 ROCK1 (1.00) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4935013 0.65 ROCK1 (1.00) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4935272 0.64 ROCK1 (1.00) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4937845 0.64 ROCK1 (0.83) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4934893 0.63 ROCK1 (0.85) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1
SCHEMBL4932740 0.62 ROCK1 (0.84) ROCK1CYP3A4CYP2D6CYP2C9RPS6KB1

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
CN-118318033-A Cell aggregate comprising pituitary hormone-producing cells and method for producing the same 住友制药株式会社 2024-07-09 CN disclosed
CN-118043447-A Method for preparing cell population containing pituitary tissue and cell population 住友化学株式会社 2024-05-14 CN disclosed
WO-2023054396-A1 METHOD FOR PRODUCING CELL MASS INCLUDING PITUITARY TISSUE AND CELL MASS 住友化学株式会社 2023-04-06 WO disclosed
WO-2023277135-A1 METHOD FOR PRODUCING CELLS CONSTITUTING NASAL EPITHELIUM, AND CELL POPULATION INCLUDING CELLS CONSTITUTING NASAL EPITHELIUM OR PROGENITOR CELLS THEREOF 住友化学株式会社 2023-01-05 WO disclosed