SCHEMBL31329069

SCHEMBL31329069

Clc1c[nH]c2ncnc(Cl)c12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.66
NOTUM Q6P988 1/20 0.49
AKT1 P31749 6/20 0.46
TRPA1 O75762 1/20 0.44
LRRK2 Q5S007 4/20 0.40
BRAF P15056 1/20 0.39
TNNI3K Q59H18 1/20 0.39
AURKA O14965 1/20 0.38
JAK3 P52333 3/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 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
SCHEMBL1598149 1.00 CHEK1 (0.66) CHEK1NOTUMAKT1TRPA1LRRK2
SCHEMBL23735452 0.81 CHEK1 (0.48) CHEK1NOTUMAKT1TRPA1LRRK2
SCHEMBL2323682 0.81 CHEK1 (0.63) CHEK1NOTUMAKT1TRPA1LRRK2
SCHEMBL153752 0.81 CHEK1 (0.63) CHEK1NOTUMAKT1TRPA1LRRK2
SCHEMBL5019486 0.79 CHEK1 (0.61) CHEK1NOTUMAKT1TRPA1LRRK2
SCHEMBL357993 0.79 CHEK1 (0.61) CHEK1NOTUMAKT1TRPA1BRAF
SCHEMBL2321413 0.79 CHEK1 (0.61) CHEK1NOTUMAKT1TRPA1LRRK2
SCHEMBL154600 0.79 CHEK1 (0.61) CHEK1NOTUMAKT1TRPA1BRAF
SCHEMBL61206 0.79 CHEK1 (1.00) CHEK1NOTUMAKT1TRPA1LRRK2
SCHEMBL21620551 0.79 CHEK1 (0.47) CHEK1NOTUMAKT1TRPA1LRRK2

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-2025043151-A2 BICYCLIC DGK INHIBITORS INCYTE CORPORATION (US) 2025-02-27 WO disclosed