SCHEMBL31361696

SCHEMBL31361696

COC(=O)[C@H](C)n1cc(N)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.35
RECQL P46063 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
F2 P00734 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL31361717 1.00 ACHE (0.35) ACHERECQLNPC1RAB9ARXFP1
SCHEMBL16051035 1.00 ACHE (0.35) ACHERECQLNPC1RAB9ARXFP1
SCHEMBL22648680 0.84 ADORA3 (0.39) ACHENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL25027007 0.81 ALDH1A1 (0.37) ACHERECQLNPC1RAB9ARXFP1
SCHEMBL19020973 0.81 SYK (0.39) ACHESMN1; SMN2KMT2AMEN1ADORA2A
SCHEMBL15650220 0.81 ALDH1A1 (0.40) ACHEADORA2AADORA1
SCHEMBL16584237 0.80 KDM4E (0.38) ACHERECQLNPC1RAB9AKMT2A
SCHEMBL1581745 0.80 ELANE (0.36) ACHERECQLNPC1RAB9ARXFP1
SCHEMBL19010789 0.80 PLK4 (0.41) ACHENPC1RAB9ARXFP1SMN1; SMN2
SCHEMBL12993521 0.80 ELANE (0.36) ACHERECQLNPC1RAB9ARXFP1

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