SCHEMBL30408172

SCHEMBL30408172

Nc1ccc(Oc2nc(N)nc3[nH]ccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.59
TTBK1 Q5TCY1 4/20 0.54
TTBK2 Q6IQ55 4/20 0.54
TRPA1 O75762 2/20 0.49

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
SCHEMBL30408294 0.82 JAK2 (0.55) JAK2TTBK1TTBK2TRPA1
SCHEMBL30564544 0.79 TRPA1 (0.75) TTBK1TTBK2TRPA1
SCHEMBL2882091 0.79 TRPA1 (0.75) TTBK1TTBK2TRPA1
SCHEMBL7958023 0.77 HRH4 (0.45) JAK2TTBK1TTBK2TRPA1
SCHEMBL30408533 0.76 JAK2 (1.00) JAK2TTBK1TTBK2
SCHEMBL30408846 0.75 JAK2 (1.00) JAK2TTBK1TTBK2
SCHEMBL30407944 0.75 JAK2 (0.66) JAK2TTBK1TTBK2
SCHEMBL30408025 0.74 JAK2 (0.71) JAK2TTBK1TTBK2
SCHEMBL30408840 0.74 JAK2 (0.88) JAK2TTBK1TTBK2
SCHEMBL24881187 0.71 TTBK1 (1.00) TTBK1TTBK2

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-2023064458-A1 SELECTIVE JAK2 INHIBITORS AND METHODS OF USE YALE UNIVERSITY (US) 2023-04-20 WO disclosed