SCHEMBL18534629

SCHEMBL18534629

CNc1cc(F)ccc1C(=N)c1cnc2[nH]cc(C(=O)NC(C)COC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.46
SYK P43405 4/20 0.44
JAK2 O60674 13/20 0.42
JAK1 P23458 13/20 0.42
CYP2C9 P11712 1/20 0.40

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
SCHEMBL18534798 0.92 JAK3 (0.40) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534555 0.92 JAK3 (0.40) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534556 0.92 JAK3 (0.40) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534605 0.91 JAK3 (0.51) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18535067 0.90 SYK (0.39) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534585 0.90 SYK (0.39) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18535070 0.90 SYK (0.39) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534854 0.90 SYK (0.40) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18534821 0.90 JAK3 (0.47) JAK3SYKJAK2JAK1CYP2C9
SCHEMBL18535040 0.90 SYK (0.40) JAK3SYKJAK2JAK1CYP2C9

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