SCHEMBL25630826

SCHEMBL25630826

N#CN1CCC2(CC1)CN(c1ncnc3ncccc13)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.37
▸ OTUD7B Q6GQQ9 6/20 0.37
▸ JAK2 O60674 6/20 0.35
▸ JAK1 P23458 6/20 0.35
▸ TYK2 P29597 6/20 0.35
▸ PDE9A O76083 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL25627535 0.84 HRH4 (0.45) ALDH1A1HPGDHSD17B10USP2CYP3A4
SCHEMBL25630530 0.82 PTK2 (0.50) JAK3ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25269396 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10USP2CYP3A4
SCHEMBL30456080 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10USP2CYP3A4
SCHEMBL25275190 0.80 ALDH1A1 (0.45) JAK3ALDH1A1HPGDHSD17B10USP2
SCHEMBL31027412 0.80 ALDH1A1 (0.45) JAK3ALDH1A1HPGDHSD17B10USP2
SCHEMBL30456119 0.74 KIT (0.49) JAK3ALDH1A1HPGDHSD17B10USP2
SCHEMBL25725210 0.72 CYP1A2 (0.41) JAK3JAK2JAK1TYK2ALDH1A1
SCHEMBL25630734 0.72 CYP1A2 (0.42) ALDH1A1HPGDHSD17B10USP2CYP3A4
SCHEMBL25630561 0.71 KIT (0.41) ALDH1A1HPGDHSD17B10USP2CYP3A4

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
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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