SCHEMBL21230477

SCHEMBL21230477

C=Cc1c(NC)cccc1C(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.31

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
SCHEMBL23766332 0.81 POLB (0.36) SOAT1
SCHEMBL25659178 0.79 L3MBTL1 (0.41)
SCHEMBL5033173 0.73 TSHR (0.35)
SCHEMBL30641414 0.73 TSHR (0.35)
SCHEMBL6685019 0.71 TSHR (0.45) SOAT1
SCHEMBL199520 0.70 POLB (0.37) SOAT1
SCHEMBL6859719 0.69 CSNK1E (0.39)
SCHEMBL2273443 0.69
SCHEMBL199521 0.69 GABRA1 (0.50) SOAT1
SCHEMBL29183951 0.68 CSNK1E (0.41) SOAT1

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
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 WO disclosed