SCHEMBL25345554

SCHEMBL25345554

COCCOc1cc(F)ccc1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
KDR P35968 3/20 0.37
LIPE Q05469 1/20 0.37
HASPIN Q8TF76 1/20 0.36
AKT1 P31749 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR3 P51677 1/20 0.34
S1PR4 O95977 1/20 0.34

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
SCHEMBL2554699 0.87 USP2 (0.38) ENPP2KDRLIPECYP1A2CYP2D6
SCHEMBL29951322 0.85 HTR2C (0.43) ENPP2LIPECYP1A2CYP2D6CYP2C19
SCHEMBL5869062 0.85 ENPP2 (0.40) ENPP2LIPESMN1; SMN2
SCHEMBL14988246 0.85 HTR2C (0.43) ENPP2LIPECYP1A2CYP2D6CYP2C19
SCHEMBL29953495 0.83 CYP1A2 (0.42) LIPECYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16034890 0.83 CYP1A2 (0.42) LIPECYP1A2CYP2D6CYP2C19TDP1
SCHEMBL4050099 0.81 L3MBTL1 (0.42) ENPP2LIPECYP1A2CYP2D6CYP2C19
SCHEMBL29954551 0.81 L3MBTL1 (0.42) ENPP2LIPECYP1A2CYP2D6CYP2C19
SCHEMBL15330282 0.80 PLAU (0.44) ENPP2KDRCYP1A2CYP2D6CYP2C19
SCHEMBL17035203 0.80 KDM4E (0.42) ENPP2KDRLIPECYP1A2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 WO disclosed
EP-4476204-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS Theras, Inc. (US) 2024-12-18 EP disclosed
CN-118946555-A Compounds having T-structures formed by at least four rings for use in the treatment of cancer and other indications 瑟拉斯有限公司 2024-11-12 CN disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed