SCHEMBL16623501

SCHEMBL16623501

CCC1(O)CCC(Nc2cc[nH]c(=O)c2C(=N)c2ccc(S)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.34
BRD4 O60885 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
SCHEMBL16623538 0.89 JAK1 (0.31) JAK1BRD4
SCHEMBL16623567 0.85 BRD4 (0.36) JAK1BRD4
SCHEMBL16623464 0.84 JAK1 (0.38) JAK1BRD4
SCHEMBL16623595 0.83 CNR1 (0.34) JAK1
SCHEMBL16623488 0.83 JAK1 (0.33) JAK1
SCHEMBL16623542 0.83 JAK1 (0.39) JAK1BRD4
SCHEMBL16623582 0.82 JAK1 (0.33) JAK1
SCHEMBL16623512 0.81 JAK1 (0.43) JAK1BRD4
SCHEMBL16623581 0.77 JAK2 (0.37) JAK1BRD4
SCHEMBL16623555 0.76 JAK1 (0.38) JAK1BRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed