SCHEMBL18524935

SCHEMBL18524935

Cn1nc(-c2cnc3[nH]cc(OC(=O)NC(C)(C)C)c3n2)c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 19/20 0.58
KCNH2 Q12809 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2D6 P10635 2/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL18524598 0.92 SYK (0.58) SYKKCNH2CYP2C9CYP2D6JAK2
SCHEMBL18524847 0.91 SYK (0.58) SYKKCNH2CYP2C9CYP2D6JAK2
SCHEMBL18524790 0.89 SYK (0.60) SYKCYP2C9CYP2D6JAK2JAK1
SCHEMBL18524887 0.88 SYK (0.74) SYKCYP2C9CYP2D6JAK2JAK1
SCHEMBL14738718 0.87 SYK (0.77) SYKKCNH2CYP2C9CYP2D6JAK2
SCHEMBL18524816 0.87 SYK (0.57) SYKKCNH2CYP2C9CYP2D6JAK2
SCHEMBL18524555 0.87 SYK (0.74) SYKCYP2C9CYP2D6JAK2JAK1
SCHEMBL18524456 0.85 SYK (0.77) SYKKCNH2CYP2C9CYP2D6JAK2
SCHEMBL18524881 0.85 SYK (0.56) SYKKCNH2CYP2C9CYP2D6JAK2
SCHEMBL18524795 0.85 SYK (0.57) SYKCYP2D6JAK2JAK1JAK3

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 claimed