SCHEMBL26344022

SCHEMBL26344022

COc1ccc(F)c(CNc2nc(=O)n(C(C)C)c(=O)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 8/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FABP4 P15090 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE6C P51160 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL26344164 0.86 MEN1 (0.39) PDE9AMEN1PKMGFERKMT2A
SCHEMBL26344898 0.85 MTOR (0.38) PDE9AMEN1PKMGFERKMT2A
SCHEMBL26344153 0.85 P2RX3 (0.39) PDE9A
SCHEMBL26344029 0.82 ACACB (0.39) PDE9APDE2A
SCHEMBL26345271 0.81 CASR (0.36) PDE9APDE2ACASR
SCHEMBL26345510 0.73 PDE9A (0.34) PDE9A
SCHEMBL26345338 0.69 PDE9A (0.40) PDE9AFABP4PDE2ALMNA
SCHEMBL26345453 0.68 PDE2A (0.43) PDE9APDE2ALMNA
SCHEMBL26344131 0.67 PDE2A (0.45) PDE9APKMPDE2ALMNA
SCHEMBL11616050 0.67 ALDH1A1 (0.41) PKMLMNAGAACASRSMN1; SMN2

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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