SCHEMBL24638482

SCHEMBL24638482

COC(=O)C(C)n1cc(-c2ccnc(Cl)n2)c(C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.38
AAK1 Q2M2I8 3/20 0.36
MAPK14 Q16539 2/20 0.32
CDK4 P11802 2/20 0.32
MAPK8 P45983 2/20 0.32
GSK3B P49841 2/20 0.32
PGRMC1 O00264 1/20 0.32
RIPK2 O43353 1/20 0.32
NR1I2 O75469 1/20 0.32
CHRM3 P20309 1/20 0.32
CCKBR P32239 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1A1 P48729 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
PCYT1A P49585 1/20 0.32
GSK3A P49840 1/20 0.32
IRAK1 P51617 1/20 0.32
LIMK1 P53667 1/20 0.32

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
SCHEMBL24638485 0.80 AAK1 (0.33) BRAFAAK1
SCHEMBL24638399 0.74 AAK1 (0.38) AAK1MAPK8
SCHEMBL24638484 0.71 KDM5A (0.36)
SCHEMBL24638223 0.70 AAK1 (0.39) AAK1
SCHEMBL8228308 0.67 BRAF (0.39) BRAFMAPK14CDK4MAPK8GSK3B
SCHEMBL24638481 0.65 UCHL1 (0.32)
SCHEMBL24638328 0.65 DYRK1A (0.39) AAK1
SCHEMBL29517198 0.63 BRAF (0.35) BRAFMAPK14
SCHEMBL21373865 0.63 KMT2A (0.35) AAK1
SCHEMBL6643662 0.62 MEN1 (0.46) AAK1

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