SCHEMBL18534665

SCHEMBL18534665

CNc1cc(F)c(F)cc1C(=N)c1cnc2[nH]cc(C(=O)N[C@@H](C)COC)c2n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.47
JAK2 O60674 13/20 0.44
JAK1 P23458 13/20 0.44
SYK P43405 3/20 0.43
CYP2C9 P11712 1/20 0.41

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
SCHEMBL18534664 1.00 JAK3 (0.47) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18534629 0.90 JAK3 (0.46) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18534622 0.86 JAK3 (0.46) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18534999 0.86 JAK3 (0.46) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18534795 0.86 JAK3 (0.46) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18534625 0.86 JAK3 (0.45) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18534813 0.86 JAK3 (0.45) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18534839 0.84 JAK3 (0.50) JAK3JAK2JAK1SYK
SCHEMBL18534642 0.84 JAK3 (0.50) JAK3JAK2JAK1SYK
SCHEMBL18534530 0.83 JAK3 (0.46) JAK3JAK2JAK1SYKCYP2C9

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed