SCHEMBL30892149

SCHEMBL30892149

C#CCn1ccc2c(N)nc(C)nc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
ADORA2B P29275 1/20 0.30
DYRK1A Q13627 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
SCHEMBL23885303 0.75 KMT2A (0.40) TLR7KMT2AKDM4EALDH1A1
SCHEMBL18486834 0.75 TLR7 (0.41) TLR7HSP90AA1ADORA2AADORA1KDM4E
SCHEMBL20182182 0.73 DYRK1A (0.32) TLR7ADORA2AADORA1ADORA2BDYRK1A
SCHEMBL18484787 0.72 ADORA2A (0.41) TLR7MEN1KMT2AADORA2AADORA1
SCHEMBL19684529 0.72 HRH4 (0.42) TLR7ADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL20162817 0.71 DYRK1A (0.33) TLR7DYRK1A
SCHEMBL19711588 0.70 ADORA1 (0.35) TLR7ADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL23885335 0.69 HDAC6 (0.38) KMT2AKDM4EALDH1A1
SCHEMBL18026004 0.68 TLR7 (0.35) TLR7ADORA2AADORA1
SCHEMBL784138 0.68 CDK1 (0.36) TLR7ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4424311-A2 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation (US) 2024-09-04 EP disclosed
EP-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed