SCHEMBL24638428

SCHEMBL24638428

O=Cc1cn(-c2ccnc(Cl)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.36
TRPV1 Q8NER1 7/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDH1 O75874 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL20574651 0.78
SCHEMBL3325800 0.76 RPS6KA5 (0.39) RPS6KA5TRPV1ALDH1A1CYP1A2CYP3A4
SCHEMBL22900755 0.75 RPS6KA5 (0.38) RPS6KA5ALDH1A1
SCHEMBL23072039 0.74 P2RX7 (0.35)
SCHEMBL15542791 0.73 CYP1A2 (0.38) ALDH1A1CYP1A2KDM4E
SCHEMBL16827592 0.72 SMN1; SMN2 (0.43) ALDH1A1TDP1
SCHEMBL2015785 0.72
SCHEMBL16043335 0.70 MAP4K4 (0.46)
SCHEMBL6653251 0.69 KDM4E (0.35) KDM4E
SCHEMBL15974157 0.69 KDM4C (0.46) ALDH1A1KDM4E

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-2022231242-A1 INDAZOLE COMPOUND HAVING LRRK2 INHIBITORY ACTIVITY 주식회사 스탠다임 2022-11-03 WO disclosed