SCHEMBL29696777

SCHEMBL29696777

O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ccnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.44
▸ DRD4 P21917 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ JAK1 P23458 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ PDE4B Q07343 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ ACHE P22303 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ KIT P10721 1/20 0.37
▸ TGFBR1 P36897 4/20 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
SCHEMBL25221747 1.00 TNKS (0.44) TNKSDRD4HTR1ADRD2HTR2A
SCHEMBL25597977 0.88 PAK1 (0.42) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL29696916 0.88 ATR (0.41) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL24583722 0.88 ATR (0.41) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL24583950 0.86 TNKS (0.44) TNKSJAK1JAK3JAK2TYK2
SCHEMBL29696873 0.86 TNKS (0.44) TNKSJAK1JAK3JAK2TYK2
SCHEMBL25273325 0.86 KIT (0.42) JAK1JAK3JAK2TYK2PDE4B
SCHEMBL25597965 0.86 PDE4B (0.39) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL25273326 0.86 KIT (0.42) JAK1JAK3JAK2TYK2PDE4B
SCHEMBL25273568 0.86 PDE4B (0.41) DRD4HTR1ADRD2HTR2AHTR2C

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-4267553-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-11-01 — — EP disclosed
WO-2022140520-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-30 — — WO disclosed
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