SCHEMBL5603687

SCHEMBL5603687

CC1=C[N]N=C1C1CCCCCCCCCCC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
PSMB5 P28074 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
SCHEMBL5602053 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3NPC1
SCHEMBL5603850 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3NPC1
SCHEMBL5603666 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3NPC1
SCHEMBL5602730 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3NPC1
SCHEMBL5603205 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3NPC1
SCHEMBL5602538 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3NPC1
SCHEMBL5602365 0.98
SCHEMBL5602823 0.89
SCHEMBL28819357 0.64
SCHEMBL16911826 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed