SCHEMBL30354542

SCHEMBL30354542

COc1ccc2ncc(Cl)c(N3CCCCC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
KCNH2 Q12809 3/20 0.38
HPGD P15428 3/20 0.37
ACHE P22303 1/20 0.37
PTPN11 Q06124 3/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL4068365 0.88 KCNH2 (0.37) DYRK1AKCNH2PTPN11
SCHEMBL4072478 0.82 KCNH2 (0.42) KCNH2ALDH1A1MAP4K4
SCHEMBL5751891 0.81 ENPP1 (0.42) DYRK1AKCNH2PTPN11
SCHEMBL28867703 0.75 PTPN11 (0.38) KCNH2PTPN11MAP4K4
SCHEMBL14358116 0.74 PDE10A (0.39) KCNH2PTPN11MAP4K4
SCHEMBL4068344 0.74 KCNH2 (0.42) KCNH2
SCHEMBL31391928 0.73 HPGD (0.47) KCNH2HPGDTP53
SCHEMBL29050355 0.73 HPGD (0.47) KCNH2HPGDTP53
SCHEMBL1223104 0.73 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL2770307 0.73 KCNH2 (0.36) KCNH2CHRNA4MAP4K4

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-4163276-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2023-04-12 EP disclosed