SCHEMBL4437756

SCHEMBL4437756

CC(C)n1cnc(Nc2nc(N3CC(O)CC3C(=O)NC3CCCN(C)C3)nc3cccn23)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.63
GUCY1B2 O75343 2/20 0.36
GUCY1A2 P33402 2/20 0.36
GUCY1A1 Q02108 2/20 0.36
GUCY1B1 Q02153 2/20 0.36
KDM5A P29375 1/20 0.35
JAK2 O60674 1/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
PBK Q96KB5 1/20 0.32
PFKFB3 Q16875 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1270249 1.00 IGF1R (0.63) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1270154 0.93 IGF1R (0.73) IGF1RKDM5AJAK2KDM4EPOLB
SCHEMBL1270424 0.91 IGF1R (0.61) IGF1RKDM5AJAK2
SCHEMBL1270637 0.91 IGF1R (0.51) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1270428 0.88 IGF1R (0.57) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL12923859 0.84 IGF1R (0.87) IGF1RJAK2
SCHEMBL12337594 0.84 IGF1R (0.87) IGF1RJAK2
SCHEMBL1269810 0.84 IGF1R (0.50) IGF1RKDM5AJAK2
SCHEMBL1269983 0.80 IGF1R (0.47) IGF1RJAK2POLB
SCHEMBL1270284 0.79 IGF1R (0.48) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed