SCHEMBL28796402

SCHEMBL28796402

CC(=O)c1c(C)[nH]c2c(NC3CNC3)cc(-c3cccnc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 6/20 0.40
PRKD2 Q9BZL6 5/20 0.40
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 1/20 0.39
DYRK1A Q13627 10/20 0.39
WNT1 P04628 8/20 0.39
PIM1 P11309 2/20 0.36
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 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
SCHEMBL29635053 1.00 PRKCZ (0.40) PRKCZPRKD2BRD4ATAD2DYRK1A
SCHEMBL28359184 0.90 BRD4 (0.50) PRKCZPRKD2BRD4ATAD2DYRK1A
SCHEMBL29635095 0.90 BRD4 (0.50) PRKCZPRKD2BRD4ATAD2DYRK1A
SCHEMBL28796471 0.82 KIT (0.46) BRD4PIM1
SCHEMBL29635086 0.80 ABL1 (0.50) ABL1
SCHEMBL28796403 0.80 ABL1 (0.50) ABL1
SCHEMBL29635084 0.78 AURKA (0.43) BRD4DYRK1AWNT1PIM1CHEK1
SCHEMBL28796397 0.78 AURKA (0.43) BRD4DYRK1AWNT1PIM1CHEK1
SCHEMBL28796391 0.76 BRD4 (0.40) BRD4DYRK1AWNT1PIM1CHEK1
SCHEMBL29635045 0.76 BRD4 (0.40) BRD4DYRK1AWNT1PIM1CHEK1

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-113248472-B Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application 中国药科大学 2022-06-28 CN claimed
CN-113248472-A Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application 中国药科大学 2021-08-13 CN claimed
CN-113248472-B Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application 中国药科大学 2022-06-28 CN disclosed
CN-113248472-A Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application 中国药科大学 2021-08-13 CN disclosed