SCHEMBL22908424

SCHEMBL22908424

CC#Cc1cc(Cl)c(C2C(=O)CC3(CCN(C(=O)CC#N)CC3)CC2=O)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.35
JAK2 O60674 7/20 0.35
IRAK4 Q9NWZ3 4/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
PIK3CA P42336 1/20 0.32
KDM1A O60341 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP3K19 Q56UN5 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
GHSR Q92847 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
SCHEMBL22908426 0.93 JAK1 (0.37) JAK1JAK2IRAK4TYK2JAK3
SCHEMBL24120375 0.91 PDCD1LG2 (0.36) JAK1JAK2IRAK4CCNT1CDK9
SCHEMBL22992131 0.90 IRAK4 (0.33) JAK1JAK2IRAK4CCNT1CDK9
SCHEMBL22908540 0.89 CYP2D6 (0.41) MAPK1
SCHEMBL22908536 0.87 CYP2D6 (0.37)
SCHEMBL22908425 0.86 CCR1 (0.32) KCNH2ADAMTS5GHSR
SCHEMBL22908435 0.85 GHSR (0.33) ADAMTS5MAPK1GHSR
SCHEMBL22908447 0.84 HTR4 (0.34) KCNH2
SCHEMBL22908541 0.84 LMNA (0.38)
SCHEMBL22908427 0.84 HTR4 (0.34)

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
WO-2021009048-A1 HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed