SCHEMBL31361626

SCHEMBL31361626

Nc1cnn(C[C@@H]2CN(C3CC3)CCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.38
HRH3 Q9Y5N1 11/20 0.38
KCNH2 Q12809 3/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL1704144 0.81 MAPT (0.39)
SCHEMBL31361676 0.81 TLR7 (0.41) IRAK4HRH3
SCHEMBL31361732 0.81 TLR7 (0.41) IRAK4HRH3
SCHEMBL31361652 0.80 ALDH1A1 (0.38) IRAK4HRH3KCNH2CCR2
SCHEMBL31361587 0.78 HRH3 (0.39) HRH3KCNH2CCR2
SCHEMBL22261043 0.77 TDP1 (0.47)
SCHEMBL29676590 0.76 PPIB (0.36)
SCHEMBL31361669 0.70 EPHA2 (0.43)
SCHEMBL16652473 0.70 EPHA2 (0.43)
SCHEMBL20461176 0.70 MAPT (0.32)

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-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed