SCHEMBL29626895

SCHEMBL29626895

CC(=O)n1ncc2nc(C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
CSNK1A1 P48729 1/20 0.47
GSK3A P49840 1/20 0.47
LIMK1 P53667 1/20 0.47
IKBKE Q14164 1/20 0.47
MAPK14 Q16539 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
CREBBP Q92793 1/20 0.36
SLC2A1 P11166 2/20 0.35
TP53 P04637 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 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
SCHEMBL14299250 1.00 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29626763 0.86 TP53 (0.36) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29640123 0.82 ROCK2 (0.40) TAOK1CLK4SLC2A1TP53PDE10A
SCHEMBL14299249 0.78 CHEK1 (0.51) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL18130788 0.76 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL16525447 0.69 CHEK1 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1638804 0.68 CHEK1 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4139235 0.67 CHEK1 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL10124514 0.67 NR3C1 (0.49) AR
SCHEMBL33525614 0.67 CHEK1 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A

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
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed