SCHEMBL30328597

SCHEMBL30328597

Cc1nc(C(F)(F)F)nc(N2CC3(CCNC3)C2)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30327830 0.80 PIM1 (0.31) PIM1PIM3PIM2MAOBHTR6
SCHEMBL30328553 0.79 PIM1 (0.36) PIM1PIM3PIM2CYP11B1MAOB
SCHEMBL30329392 0.76 PIM1 (0.36) PIM1PIM3PIM2CYP11B1ALDH1A1
SCHEMBL30327738 0.74 PIM1 (0.40) PIM1PIM3PIM2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL30327910 0.73 PIM1 (0.40) PIM1PIM3PIM2ALDH1A1HPGD
SCHEMBL25163969 0.69 TSHR (0.41) PIM1PIM3PIM2CYP11B1ALDH1A1
SCHEMBL30328097 0.67 PHGDH (0.39) PIM1PIM3PIM2HTR6ALDH1A1
SCHEMBL30329246 0.66 PIM1 (0.36) PIM1PIM3PIM2CYP11B1ALDH1A1
Hydrochloric Acid SCHEMBL30329091 0.66 PHGDH (0.38) PIM1PIM3PIM2MAOBHTR6
Hydrochloric Acid SCHEMBL30328028 0.66 OGA (0.40) PIM1PIM3PIM2MAOBHTR6

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-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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