SCHEMBL26122836

SCHEMBL26122836

Cn1ccnc1N1C[C@H](NC(=O)O)[C@@H](F)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ EGFR P00533 4/20 0.33
▸ ERBB3 P21860 2/20 0.33
▸ SSTR4 P31391 2/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BTK Q06187 2/20 0.32
▸ KDM5A P29375 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
SCHEMBL26120703 0.80 EGFR (0.34) MAPK1EGFRERBB3KDM5A
SCHEMBL26125195 0.80 MAPK1 (0.33) MAPK1EGFRERBB3SSTR4KDM5A
SCHEMBL25263633 0.75 KLKB1 (0.35) —
SCHEMBL26123856 0.74 MAP3K12 (0.34) —
SCHEMBL26121851 0.72 CHRNB2 (0.49) —
SCHEMBL26125262 0.72 CHRNB2 (0.49) —
SCHEMBL30937244 0.71 LPO (0.38) L3MBTL1P2RX7ALDH1A1TSHRKMT2A
SCHEMBL30782144 0.67 LPO (0.34) L3MBTL1P2RX7
SCHEMBL26545651 0.67 LPO (0.34) —
SCHEMBL26123651 0.63 CHRNB2 (0.42) MAPK1KDM5A

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-2023192960-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-10-05 — — WO disclosed
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