SCHEMBL13547710

SCHEMBL13547710

Bc1cc(C)c(C)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.32
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL14535964 0.84
SCHEMBL11982081 0.74 RAPGEF4 (0.36) RAPGEF4
SCHEMBL13798732 0.73 ALDH1A1 (0.58)
SCHEMBL19446422 0.73 SOS1 (0.31)
SCHEMBL13798734 0.73 CA1 (0.58)
SCHEMBL13899602 0.71 CYP3A4 (0.33)
SCHEMBL1551822 0.69 RAPGEF4 (0.59) RAPGEF4
SCHEMBL18950483 0.69 ALDH1A1 (0.53) RAPGEF4TUBB1
SCHEMBL28951 0.69 RAPGEF4 (0.59) RAPGEF4
SCHEMBL14041669 0.69 ACHE (0.40) TUBB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089384-B1 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed
EP-1626976-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2007-10-17 EP disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP disclosed
EP-1704149-B1 TRIAZA-CYCLOPENTA[CD]INDENE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2007-03-07 EP disclosed