SCHEMBL30911401

SCHEMBL30911401

CC(O)c1nc(C2CC2)cc2c(Br)n[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL30911402 0.74 NT5E (0.33) —
SCHEMBL35211291 0.73 MAT2A (0.34) LRRK2PPARAKDM4EKMT2APOLB
SCHEMBL25938589 0.63 PPARA (0.39) PPARAKDM4EKMT2APOLB
SCHEMBL30911379 0.60 NT5E (0.31) —
SCHEMBL21742934 0.60 KDM5A (0.41) KDM4EKMT2APOLB
SCHEMBL25928277 0.60 TLR9 (0.34) PPARAKDM4EKMT2A
SCHEMBL25938593 0.60 PPARA (0.37) PPARAKDM4EKMT2A
SCHEMBL25928457 0.59 JAK2 (0.36) PPARAKDM4E
SCHEMBL30911367 0.57 CYP3A4 (0.31) —
SCHEMBL5564165 0.57 ADORA2A (0.36) LRRK2PPARAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074977-A1 SUBSTITUTED 1 H-PYRAZOLO-PYRIDINE AND-PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-04-11 — — WO disclosed
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