SCHEMBL3407903

SCHEMBL3407903

Oc1nc(Nc2[c]cccc2)ncc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.41
GSK3B P49841 1/20 0.39
SYK P43405 1/20 0.39
MAPK8 P45983 2/20 0.35
CDK1 P06493 3/20 0.34
CDK2 P24941 3/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK19 Q9BWU1 2/20 0.33
ALK Q9UM73 2/20 0.33
LRRK2 Q5S007 1/20 0.33
KDR P35968 1/20 0.32
CHEK1 O14757 1/20 0.31
NTRK2 Q16620 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL3407907 0.77 IGF1R (0.47) IGF1RGSK3BSYKMAPK8CDK1
SCHEMBL13310459 0.76 IGF1R (0.68) IGF1RGSK3BSYKMAPK8CDK1
SCHEMBL3448949 0.72 SYK (0.47) IGF1RGSK3BSYKMAPK8CDK1
SCHEMBL28899702 0.71 MEN1 (0.45) IGF1RGSK3BSYKMAPK8CDK1
SCHEMBL5591510 0.70 ACHE (0.36) CDK1CDK2KDRCHEK1MEN1
SCHEMBL3376344 0.69 ADORA2A (0.41) IGF1RGSK3BSYKMAPK8CDK1
SCHEMBL13898607 0.69 SYK (0.76) IGF1RGSK3BSYKMAPK8CDK1
SCHEMBL10586534 0.67 BCL6 (0.30)
SCHEMBL3450173 0.67 SYK (0.57) IGF1RSYKCDK1CDK2CCNB1
SCHEMBL3348285 0.67 IGF1R (0.58) IGF1RSYKMAPK8CDK1MEN1

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-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed