SCHEMBL26344164

SCHEMBL26344164

Cc1ccc(F)c(CNc2nc(=O)n(C(C)C)c(=O)[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ PDE9A O76083 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ FABP4 P15090 1/20 0.37
▸ PGR P06401 2/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ P2RX3 P56373 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL26344898 0.88 MTOR (0.38) MEN1KMT2APKMPDE9AKDM4E
SCHEMBL26344022 0.86 PDE9A (0.46) MEN1KMT2APKMPDE9AFABP4
SCHEMBL26345271 0.84 CASR (0.36) PDE9AKDM4EPGRPDE2AP2RX3
SCHEMBL26344153 0.83 P2RX3 (0.39) PDE9AKDM4EP2RX3
SCHEMBL26344167 0.78 PGR (0.37) PDE9APGRPDE2ANR1I2EGFR
SCHEMBL30459378 0.78 PGR (0.37) PDE9APGRPDE2ANR1I2EGFR
SCHEMBL26344212 0.78 PDE9A (0.43) PDE9APGRPDE2AALDH1A1HSD17B10
SCHEMBL26344029 0.77 ACACB (0.39) PDE9APDE2AP2RX3
SCHEMBL26345510 0.76 PDE9A (0.34) PDE9AP2RX3
SCHEMBL26345985 0.76 PDE2A (0.48) PDE2A

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
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 — — EP disclosed
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