SCHEMBL31448355

SCHEMBL31448355

CC1(C)OC(=O)c2cc(Nc3nc(Cl)ncc3Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.42
MAP4K3 Q8IVH8 9/20 0.38
MAP4K1 Q92918 9/20 0.38
IRAK4 Q9NWZ3 9/20 0.38
PGR P06401 3/20 0.37
PIN1 Q13526 3/20 0.36
AURKA O14965 1/20 0.35
MAP4K4 O95819 1/20 0.35
CYP3A4 P08684 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35

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
SCHEMBL26624045 1.00 BCL6 (0.42) BCL6MAP4K3MAP4K1IRAK4PGR
SCHEMBL26624012 0.91 MAP4K1 (0.46) BCL6MAP4K3MAP4K1IRAK4PGR
SCHEMBL26624021 0.81 MAP4K1 (0.56) MAP4K3MAP4K1IRAK4AURKAMAP4K4
SCHEMBL31448272 0.81 MAP4K1 (0.56) MAP4K3MAP4K1IRAK4AURKAMAP4K4
SCHEMBL26624018 0.78 MET (0.53)
SCHEMBL26624025 0.73 TYRO3 (0.55)
SCHEMBL17792820 0.70 BCL6 (0.49) BCL6PIN1AURKACYP3A4
SCHEMBL4175833 0.70 BCL6 (0.56) BCL6PIN1
SCHEMBL30905173 0.70 BCL6 (0.49) BCL6AURKA
SCHEMBL26624006 0.70 WEE1 (0.52) MAP4K3MAP4K1IRAK4

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
EP-4520757-A1 COMPOUND INCLUDING 2,4-DIAMINOPYRIDINE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2025-03-12 EP disclosed