SCHEMBL3398532

SCHEMBL3398532

CCCCCC[CH]SCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL200057 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200333 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL201503 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL5073870 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL198815 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL201976 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200471 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200746 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200154 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1
SCHEMBL200100 0.77 TSHR (0.46) TSHRFAAHTRPV1THRBDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250173-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2009091939-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. (US) 2009-07-23 WO disclosed
EP-1781660-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
EP-1740591-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
WO-2006012422-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-02-02 WO disclosed
WO-2005097800-A1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed