SCHEMBL25237471

SCHEMBL25237471

O=c1cc[nH]c2nc(Cl)c(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 1/20 0.40
CCR8 P51685 1/20 0.38
DYRK1A Q13627 1/20 0.38
KMT2A Q03164 1/20 0.37
JAK2 O60674 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TGFBR1 P36897 2/20 0.36
CHEK1 O14757 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35

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
SCHEMBL9288889 0.78 GPR84 (0.45) DYRK1AJAK2KEAP1NFE2L2TGFBR1
SCHEMBL10962972 0.76 ADORA2A (0.43) ADORA2AADORA1ALDH1A1CCR8DYRK1A
SCHEMBL25283774 0.73 ADORA2A (0.62) ADORA2AADORA1ALDH1A1CCR8DYRK1A
SCHEMBL23148088 0.73 PRKCI (0.41) ADORA2AADORA1DYRK1AJAK2TGFBR1
SCHEMBL23147654 0.71 PRKCI (0.41) ADORA2AADORA1DYRK1ATGFBR1CYP1A2
SCHEMBL29721896 0.71 PRKCI (0.41) ADORA2AADORA1DYRK1ATGFBR1CYP1A2
SCHEMBL18306004 0.71 ADORA2A (0.65) ADORA2AADORA1ALDH1A1CCR8DYRK1A
SCHEMBL669933 0.70 AXL (0.42) ADORA2AADORA1ALDH1A1CCR8KMT2A
SCHEMBL25888607 0.70 BTK (0.34) KEAP1NFE2L2CHEK1
SCHEMBL29721947 0.69 PRKCI (0.44) ADORA2AADORA1DYRK1ATGFBR1CYP1A2

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
WO-2023119098-A1 PROTEIN KINASE C THETA INHIBITORS Galderma Holding SA (CH) 2023-06-29 WO disclosed
WO-2023119098-A1 PROTEIN KINASE C THETA INHIBITORS Galderma Holding SA (CH) 2023-06-29 WO disclosed