SCHEMBL29920550

SCHEMBL29920550

Cc1cnc2ccc(-c3cccc(C(F)(F)F)c3)nn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
GABRA1 P14867 1/20 0.67
HPGD P15428 1/20 0.67
GABRG2 P18507 1/20 0.67
GABRB3 P28472 1/20 0.67
GABRA5 P31644 1/20 0.67
GABRA3 P34903 1/20 0.67
GABRA2 P47869 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
FYN P06241 5/20 0.60
DYRK1A Q13627 8/20 0.56
DYRK2 Q92630 5/20 0.56
CCNA2 P20248 4/20 0.55
CDK2 P24941 4/20 0.55
CDK5 Q00535 4/20 0.55
CDK5R1 Q15078 4/20 0.55

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
SCHEMBL10849053 1.00 KDM4E (0.67) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
SCHEMBL102751 0.85 DYRK1A (0.76) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
SCHEMBL16265156 0.84 KDM4E (0.59) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
SCHEMBL10850293 0.83 KDM4E (0.58) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
SCHEMBL23535571 0.82 FYN (0.64) FYNKCNH2
SCHEMBL16331190 0.80 FYN (0.79) FYNDYRK1ADYRK2CCNA2CDK2
SCHEMBL14881421 0.80 FYN (0.61) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
Ci-218872 SCHEMBL1320758 0.80 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
Ci-218872 SCHEMBL29469726 0.80 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4GABRA1
SCHEMBL31265355 0.80 FYN (0.62) FYNDYRK1ADYRK2CCNA2CDK2

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 3 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
CN-115087657-A LIN28 inhibitor and method of use thereof 加利福尼亚大学董事会 2022-09-20 CN disclosed