SCHEMBL31124367

SCHEMBL31124367

CNc1ncc2cnn(Cc3cccc(N)c3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.62
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PRMT5 O14744 1/20 0.44
MAP4K4 O95819 1/20 0.44
JAK3 P52333 1/20 0.43
ABL1 P00519 5/20 0.43
ABHD6 Q9BV23 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL12797072 0.82 JAK3 (0.52) MERTKPRMT5JAK3
SCHEMBL31124459 0.81 ADORA2A (0.48) MERTKADORA2AADORA1JAK3ABHD6
SCHEMBL12185411 0.77 MERTK (1.00) MERTK
SCHEMBL20118706 0.73 ADORA1 (0.56) ADORA2AADORA1CYP3A4PKM
SCHEMBL27638905 0.71 RECQL (0.69) MERTKADORA2AADORA1PRMT5ABHD6
SCHEMBL12797095 0.70 JAK3 (0.53) JAK3CYP3A4
SCHEMBL1662508 0.69 JAK3 (0.54) JAK3
SCHEMBL671464 0.69 JAK3 (0.52) JAK3
SCHEMBL12796231 0.69 JAK3 (0.52) JAK3
SCHEMBL12797065 0.69 IGF1R (0.52) JAK3

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-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 WO disclosed