SCHEMBL31075223

SCHEMBL31075223

CCOC(=O)c1cnn(Cc2cnc(SC)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ SYK P43405 2/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ CA12 O43570 1/20 0.37

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
SCHEMBL29047802 0.87 GRM2 (0.42) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL29047870 0.83 L3MBTL1 (0.51) MEN1KMT2APOLBTDP1
SCHEMBL2818630 0.82 GRM2 (0.48) GRM2MEN1KMT2AKDM4EMAPT
SCHEMBL1909166 0.80 GRM2 (0.53) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL31075230 0.80 POLB (0.44) GRM2MEN1KMT2AKDM4EMAPT
SCHEMBL2821953 0.79 LMNA (0.54) GRM2MAPTALDH1A1TDP1LMNA
SCHEMBL28595790 0.79 ESR1 (0.55) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL553848 0.79 ALDH1A1 (0.60) GRM2ALDH1A1TDP1LMNATSHR
SCHEMBL3101067 0.79 KMT2A (0.51) GRM2MEN1KMT2AKDM4EMAPT
SCHEMBL18795048 0.79 GRM2 (0.55) GRM2MAPTALDH1A1POLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 — — EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 — — WO disclosed
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