SCHEMBL4557950

SCHEMBL4557950

Nc1nc(Nc2ccc(OCCCN3CCOCC3)cc2)ncc1-c1cc(C2CC2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.59
FLT3 P36888 1/20 0.47
EGFR P00533 3/20 0.46
JAK3 P52333 2/20 0.45
BTK Q06187 2/20 0.45
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
RET P07949 1/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
AURKA O14965 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL11340647 0.81 IGF1R (0.75) IGF1REGFRJAK3BTK
SCHEMBL31592407 0.69 IGF1R (0.57) IGF1RFLT3EGFRJAK3BTK
SCHEMBL31592605 0.68 IGF1R (0.56) IGF1RFLT3EGFRJAK3BTK
SCHEMBL6645681 0.68 IGF1R (0.68) IGF1RFLT3EGFRJAK3BTK
SCHEMBL12521823 0.68 TBK1 (0.57) FLT3
SCHEMBL31592628 0.68 IGF1R (0.64) IGF1RFLT3EGFRJAK3BTK
SCHEMBL4466340 0.67 IGF1R (0.50) IGF1RKDR
SCHEMBL16014354 0.67
SCHEMBL6312832 0.67 IGF1R (0.52) IGF1REGFRKDRHRH3CDK2
SCHEMBL28685707 0.66 HRH3 (0.49) IGF1RHRH3

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