SCHEMBL30576193

SCHEMBL30576193

Nc1nc(O[C@@H]2CCNC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
DCPS Q96C86 1/20 0.41
PRKCZ Q05513 6/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
HRH1 P35367 1/20 0.40
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 1/20 0.39
KCNH2 Q12809 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38

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
Hydrochloric Acid SCHEMBL30576198 0.99 CHRNB2 (0.41) CHRNB2CHRNA4DCPSPRKCZHTR1A
SCHEMBL29109427 0.78 KDM4E (0.49) DCPSSLC6A2KCNH2
SCHEMBL30513804 0.77 HRH4 (0.52) DCPSHTR1ASLC6A2KCNH2
SCHEMBL29849730 0.76 KDM4E (0.44) DCPS
SCHEMBL30513760 0.75 CHRM4 (0.51) DCPS
SCHEMBL6617419 0.72 MKNK1 (0.41) CHRNB2CHRNA4ROCK1ROCK2KCNH2
SCHEMBL5464152 0.71 CHRNB2 (0.49) CHRNB2CHRNA4PRKCZHTR1ASLC6A2
SCHEMBL16416180 0.71 HTR6 (0.46) CHRNB2CHRNA4PRKCZHTR1ASLC6A2
SCHEMBL2723948 0.70 CHRNB2 (0.48) CHRNB2CHRNA4PRKCZHTR1ASLC6A2
SCHEMBL2722697 0.70 CHRNB2 (0.48) CHRNB2CHRNA4PRKCZHTR1ASLC6A2

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-4476211-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2024-12-18 EP disclosed
WO-2023154124-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed