SCHEMBL30825856

SCHEMBL30825856

COc1c(Cl)ccn(-c2cccnc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
PTK2 Q05397 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2E1 P05181 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL30827679 0.75 CYP3A4 (0.45) GAAALDH1A1CYP3A4CYP2A6CYP2E1
SCHEMBL30977140 0.73 MAT2A (0.44) GAAALDH1A1CYP3A4NPBWR1CYP1A2
SCHEMBL31456729 0.69 CYP2A6 (0.53) GAAALDH1A1CYP3A4CYP2A6CYP2E1
SCHEMBL4817184 0.68 MAPK1 (0.51) GAAALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL14992282 0.68 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP1A2CYP11B1CYP11B2
SCHEMBL31310093 0.67 CYP2A6 (0.46) GAAALDH1A1CYP3A4CYP2A6CYP2E1
SCHEMBL14911616 0.67 ALOX12 (0.50) GAACYP3A4CYP2A6CYP2E1HTT
SCHEMBL30705774 0.67 PTK2 (0.46) GAAPTK2CYP3A4CYP2A6CYP2E1
SCHEMBL31456617 0.66 CYP2A6 (0.53) GAAALDH1A1CYP3A4CYP2A6CYP2E1
SCHEMBL31456679 0.66 CYP3A4 (0.45) GAAALDH1A1CYP3A4CYP2A6CYP2E1

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
EP-4590396-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2025-07-30 EP disclosed
WO-2024062089-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed