SCHEMBL22909511

SCHEMBL22909511

CNN(C)CCNc1ncnc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 7/20 0.53
TTBK2 Q6IQ55 7/20 0.53
PTK2 Q05397 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
BTK Q06187 4/20 0.45
GAA P10253 1/20 0.44
ALPG P10696 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
HPGDS O60760 1/20 0.43
TNNI3K Q59H18 1/20 0.42

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
SCHEMBL23409023 0.87 GAA (0.57) TTBK1TTBK2PTK2IRAK4BTK
SCHEMBL25069005 0.82 TTBK1 (0.52) TTBK1TTBK2PTK2IRAK4BTK
SCHEMBL27545719 0.82 TTBK1 (0.54) TTBK1TTBK2PTK2IRAK4BTK
SCHEMBL23409028 0.81 TTBK1 (0.59) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL16266363 0.79 TTBK1 (0.61) TTBK1TTBK2BTKHDAC6TNNI3K
SCHEMBL23409027 0.77 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL22909512 0.75 TTBK1 (0.57) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL16266488 0.75 LDHA (0.58) TTBK1TTBK2BTKHDAC6
SCHEMBL8469366 0.75 S1PR2 (0.57) TTBK1TTBK2BTKHDAC6TNNI3K
SCHEMBL23408985 0.74 TTBK1 (0.47) TTBK1TTBK2PTK2BTKHDAC6

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-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed