SCHEMBL31493183

SCHEMBL31493183

Nc1cccc(-c2ncc(CNc3cc(Cl)nc(C(F)(F)F)c3)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.41
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PDE4D Q08499 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FABP4 P15090 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL26260595 0.86 DYRK1A (0.43) CLK1DYRK1AFYNKDM4EALDH1A1
SCHEMBL26260522 0.85 MAPT (0.36) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL30041441 0.85 MAPT (0.36) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL25401802 0.83 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2AABCG2
SCHEMBL30040331 0.77 MAPT (0.39) ALDH1A1LMNASMN1; SMN2NPSR1PTGS2
SCHEMBL21611940 0.77 MAPT (0.39) ALDH1A1LMNASMN1; SMN2NPSR1PTGS2
SCHEMBL26260574 0.77 FABP4 (0.36) KDM4EALDH1A1LMNASMN1; SMN2LCK
SCHEMBL21611930 0.76 CYP2C9 (0.42) KDM4EALDH1A1LMNASMN1; SMN2HTT
SCHEMBL21611920 0.76 CYP2C19 (0.54) SMN1; SMN2MAPTTP53ADORA2ATDP1
SCHEMBL21612050 0.75 TP53 (0.39) KDM4EALDH1A1LMNASMN1; SMN2HTT

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-4085054-B1 NEW PQSR INVERSE AGONISTS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-02-19 — — EP disclosed
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