SCHEMBL24424055

SCHEMBL24424055

COc1cc(-c2cc(C(=O)N3C4CC[C@@H]3CC(C(=O)NCc3cccc(Cl)c3)C4)n[nH]2)c(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ CHKA P35790 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL24422979 1.00 POLB (0.44) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL24422978 1.00 POLB (0.44) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL24424330 1.00 POLB (0.44) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL24422977 1.00 POLB (0.44) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL25090687 1.00 POLB (0.44) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL24423853 1.00 POLB (0.44) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL25090883 0.93 POLB (0.43) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL25090882 0.93 POLB (0.43) POLBCCNT1CDK9KMT2AROCK2
SCHEMBL24423977 0.91 POLB (0.42) POLBCCNT1CDK9KMT2AMAPT
SCHEMBL29585038 0.91 POLB (0.42) POLBCCNT1CDK9KMT2AMAPT

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-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
Send feedback