SCHEMBL23472328

SCHEMBL23472328

CCCCNc1ncncc1C[C@@H](C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.45
▸ ABL1 P00519 3/20 0.45
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ TLR8 Q9NR97 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ UTS2R Q9UKP6 1/20 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
SCHEMBL20219716 1.00 SRC (0.45) SRCABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL23472165 0.81 TLR8 (0.51) TLR8TLR7L3MBTL1
SCHEMBL20219399 0.81 TLR8 (0.51) TLR8TLR7L3MBTL1
SCHEMBL23472353 0.78 NPSR1 (0.39) SRCABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL23472685 0.78 TLR8 (0.49) LMNASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL23472330 0.77 TLR8 (0.47) TLR8TLR7L3MBTL1
SCHEMBL20219506 0.77 SRC (0.44) SRCABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL20219480 0.74 LMNA (0.45) SRCABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL23472180 0.72 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL23472202 0.71 CYP1A2 (0.51) LMNASMN1; SMN2ALDH1A1KDM4ETP53

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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