SCHEMBL14320002

SCHEMBL14320002

CC1=NOC(CNc2nc(Nc3cc(C)n[nH]3)cc(N3CCOCC3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.49
AURKA O14965 6/20 0.44
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42
PIK3CB P42338 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
AURKB Q96GD4 2/20 0.42
RIPK1 Q13546 1/20 0.40

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
SCHEMBL14162124 0.91 IGF1R (0.49) IGF1RAURKAAURKB
SCHEMBL14050704 0.82 IGF1R (0.48) IGF1RAURKAAURKB
SCHEMBL12439393 0.79 IGF1R (0.49) IGF1RAURKAAURKB
SCHEMBL11343975 0.79 IGF1R (0.76) IGF1RAURKA
SCHEMBL14320042 0.78 IGF1R (0.50) IGF1RAURKAJAK3JAK2PKM
SCHEMBL12438570 0.77 IGF1R (0.52) IGF1R
SCHEMBL12439829 0.76 IGF1R (0.52) IGF1RAURKAJAK3JAK2AURKB
SCHEMBL12438231 0.76 IGF1R (0.42) IGF1R
SCHEMBL12439403 0.75 IGF1R (0.49) IGF1R
SCHEMBL12439798 0.74 IGF1R (0.65) IGF1RAURKAAURKB

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-2008005538-A2 METHODS OF USING IGF1R AND ABL KINASE MODULATORS EXELIXIS, INC. (US) 2008-01-10 WO disclosed