SCHEMBL4459043

SCHEMBL4459043

CC(C)c1cc(C2(N)C=C(OC3CCN(C)CC3)N=C(N)N2)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.34
SLC5A7 Q9GZV3 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL4462239 0.60 IGF1R (0.44) IGF1RSLC5A7
SCHEMBL18639884 0.56 MAOA (0.49)
SCHEMBL15831688 0.56 DRD2 (0.32)
SCHEMBL15831689 0.54 HCAR3 (0.30)
SCHEMBL374287 0.54 HRH3 (0.50) SLC5A7
SCHEMBL7278456 0.54 IGF1R (0.40) IGF1RSLC5A7LRRK2
SCHEMBL16935387 0.54 LRRK2 (0.39) LRRK2
SCHEMBL19287832 0.53 TGFBR1 (0.43) SLC5A7
SCHEMBL19172586 0.53 FPR2 (0.42) LRRK2
SCHEMBL19172678 0.53 LRRK2 (0.43) LRRK2

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed