SCHEMBL31491349

SCHEMBL31491349

CN1C[C@@H](Nc2nc(Cl)nc3c2[S@+]([O-])CC3)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 1/20 0.35
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ SRD5A1 P18405 1/20 0.32

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
SCHEMBL516879 1.00 IL1B (0.35) IL1BPIM1PIM2SRD5A1
SCHEMBL590224 1.00 IL1B (0.35) IL1BPIM1PIM2SRD5A1
SCHEMBL4074985 0.88 IL1B (0.37) IL1BPIM1PIM2
SCHEMBL4078144 0.88 IL1B (0.37) IL1BPIM1PIM2
SCHEMBL8058366 0.82 IL1B (0.38) IL1BPIM1PIM2SRD5A1
SCHEMBL15976749 0.80 KMT2A (0.33) —
SCHEMBL588463 0.80 SRD5A1 (0.35) IL1BSRD5A1
SCHEMBL589890 0.80 SRD5A1 (0.35) IL1BSRD5A1
SCHEMBL1186815 0.80 MEN1 (0.35) IL1BPIM1PIM2
SCHEMBL1204007 0.79 SRD5A1 (0.34) IL1BPIM1PIM2SRD5A1

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-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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