SCHEMBL4466340

SCHEMBL4466340

Nc1nc(NCc2ccco2)ncc1-c1cc(C2CC2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.50
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
MERTK Q12866 1/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL3941063 0.82 NTRK1 (0.52) IGF1RFGFR1KDR
SCHEMBL11347780 0.74 IGF1R (0.70) IGF1RFGFR1KDR
SCHEMBL4469628 0.73 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL4077928 0.73 NTRK1 (0.49) IGF1R
SCHEMBL23217059 0.69 NTRK1 (0.52) IGF1R
SCHEMBL30010123 0.69 NTRK1 (0.52) IGF1R
SCHEMBL4557050 0.69 IGF1R (0.54) IGF1RMERTK
SCHEMBL2321821 0.69 IGF1R (0.65) IGF1R
SCHEMBL30782745 0.68 HRH4 (0.40) ADORA2AADORA1KMT2A
SCHEMBL4557950 0.67 IGF1R (0.59) IGF1RKDR

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 claimed