SCHEMBL18534856

SCHEMBL18534856

CC(NC(=O)c1cn(SF)c2ncc(Br)nc12)c1ncco1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
PDE2A O00408 1/20 0.31
ADORA2A P29274 2/20 0.30
ADORA1 P30542 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
SCHEMBL18534427 0.84 JAK3 (0.34) CNR1CNR2PDE2A
SCHEMBL18534680 0.83 PDE2A (0.40) CNR1CNR2PDE2AADORA2A
SCHEMBL18534753 0.81 JAK2 (0.39) CNR2
SCHEMBL18534778 0.80 JAK2 (0.39)
SCHEMBL18534776 0.78 CNR2 (0.32) CNR1CNR2
SCHEMBL14751064 0.77 DGAT1 (0.34) ADORA2AADORA1
SCHEMBL14751056 0.77 DGAT1 (0.34) ADORA2AADORA1
SCHEMBL14751203 0.77 DGAT1 (0.34) ADORA2AADORA1
SCHEMBL18534790 0.77 MEN1 (0.31)
SCHEMBL18534669 0.77 JAK2 (0.43)

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