SCHEMBL24920137

SCHEMBL24920137

O=CCCNc1ncnc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 7/20 0.57
TTBK2 Q6IQ55 7/20 0.57
BTK Q06187 4/20 0.50
HDAC6 Q9UBN7 1/20 0.49
HPGDS O60760 1/20 0.46

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
SCHEMBL29665587 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL30485458 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL28451436 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL23409027 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
Hydrochloric Acid SCHEMBL29729054 0.80 TTBK1 (0.61) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL16266363 0.80 TTBK1 (0.61) TTBK1TTBK2BTKHDAC6
SCHEMBL22909512 0.79 TTBK1 (0.57) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL23409028 0.78 TTBK1 (0.59) TTBK1TTBK2BTKHDAC6HPGDS
Hydrochloric Acid SCHEMBL29729076 0.77 TTBK1 (0.58) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL23409023 0.76 GAA (0.57) TTBK1TTBK2BTKHDAC6HPGDS

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-2023001982-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-01-26 WO disclosed