SCHEMBL31409646

SCHEMBL31409646

Clc1nccc2c1c(I)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.34
KCNN4 O15554 2/20 0.32
KCNA3 P22001 2/20 0.32
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TRPM2 O94759 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
ERBB2 P04626 1/20 0.31
TP53 P04637 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL3232814 0.77 SRC (0.42) MEN1MAPTOPRD1OPRK1HTT
SCHEMBL414096 0.74 AURKA (0.34) AURKAKCNN4KCNA3MEN1SLC22A1
SCHEMBL31409604 0.74 LPL (0.31)
SCHEMBL30632638 0.70 GABRP (0.31)
SCHEMBL25670764 0.70 RXFP1 (0.39)
SCHEMBL25296298 0.69 AURKA (0.34) AURKAKCNN4KCNA3MEN1SLC22A1
SCHEMBL875874 0.69 AURKA (0.34) AURKAKCNN4KCNA3MEN1SLC22A1
SCHEMBL30228734 0.69 AURKA (0.34) AURKAKCNN4KCNA3MEN1SLC22A1
SCHEMBL21820970 0.67 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL30498385 0.67 CYP17A1 (0.34) LMNACYP17A1TSHRHTTSMN1; SMN2

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed