SCHEMBL25745974

SCHEMBL25745974

CC(C)CNC(=O)c1ncc(NC(N)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MLYCD O95822 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CFTR P13569 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL25745901 0.81 SMN1; SMN2 (0.42) LMNANAMPTSMN1; SMN2
SCHEMBL25745885 0.75 NAMPT (0.48) LMNAGAAKMT2AHSD17B10NAMPT
SCHEMBL25745966 0.73 EGLN2 (0.39) FPR2BACE1ALDH1A1
SCHEMBL31348094 0.68 ALDH1A1 (0.43) KMT2ABACE1ALDH1A1SMN1; SMN2
SCHEMBL19435882 0.67 BACE1 (0.41) FPR2BACE1ALDH1A1SMN1; SMN2
SCHEMBL14022267 0.64 PRKCI (0.48) DYRK1AGAAKMT2AHSD17B10MLYCD
SCHEMBL29824281 0.64 LMNA (0.62) LMNAGAAKMT2AHSD17B10TAS1R3
SCHEMBL17641571 0.63 SYK (0.43) NAMPT
SCHEMBL30445348 0.63 HPGDS (0.39) DYRK1AFPR2MLYCD
SCHEMBL161702 0.62 KMT2A (0.45) DYRK1AGAAKMT2AHSD17B10MLYCD

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-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 — — EP disclosed
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