SCHEMBL30006563

SCHEMBL30006563

Cc1cnc2ccc(-c3cccc(N)c3)cn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.50
MAP4K4 O95819 4/20 0.48
KCNH2 Q12809 1/20 0.45
DYRK3 O43781 1/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
CHEK1 O14757 1/20 0.41
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41

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
SCHEMBL23535570 1.00 TGFBR1 (0.50) TGFBR1MAP4K4KCNH2DYRK3CCNT1
SCHEMBL23535558 0.81 KCNH2 (0.56) MAP4K4KCNH2DYRK3CCNT1CCNA2
SCHEMBL30006817 0.81 KCNH2 (0.56) MAP4K4KCNH2DYRK3CCNT1CCNA2
SCHEMBL23105028 0.81 TGFBR1 (0.57) TGFBR1KCNH2CCNT1CDK9
SCHEMBL23535618 0.80 TGFBR1 (0.42) TGFBR1MAP4K4
SCHEMBL30006850 0.80 TGFBR1 (0.42) TGFBR1MAP4K4
SCHEMBL26178954 0.78 FLT3 (0.53) MAP4K4KCNH2DYRK3CCNT1CCNA2
SCHEMBL23535608 0.77 IKBKB (0.45) TGFBR1KCNH2FYNTGFBR2
SCHEMBL17754846 0.76 TGFBR1 (0.43) TGFBR1
SCHEMBL23535607 0.75 FYN (0.55) DYRK3CCNT1CCNA2CDK2CDK9

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-120025336-A LIN28 inhibitors and methods of use thereof 加利福尼亚大学董事会 2025-05-23 CN disclosed
CN-115087657-B LIN28 inhibitors and methods of use thereof 加利福尼亚大学董事会 2025-01-21 CN disclosed