SCHEMBL14980795

SCHEMBL14980795

COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.46
IGF1R P08069 3/20 0.46
ALK Q9UM73 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RECQL P46063 1/20 0.44
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAPT P10636 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 2/20 0.43
INSR P06213 2/20 0.43
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL13253273 0.87 MAPT (0.47) TTKIGF1RALKSMN1; SMN2RECQL
SCHEMBL309660 0.87 IGF1R (0.47) TTKIGF1RALKSMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL2207439 0.86 IGF1R (0.47) TTKIGF1RALKSMN1; SMN2RECQL
SCHEMBL1911839 0.84 INSR (0.51) IGF1RALKACVR1ALDH1A1INSR
SCHEMBL1911895 0.83 L3MBTL3 (0.58) IGF1RALKALDH1A1INSREGFR
SCHEMBL310163 0.83 ALDH1A1 (0.60) IGF1RSMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL1911852 0.82 L3MBTL3 (0.57) ALDH1A1
SCHEMBL10207999 0.81 ALDH1A1 (0.51) IGF1RALKACVR1ALDH1A1INSR
SCHEMBL10209402 0.80 KHK (0.50) ALKTGFBR1ACVR1EGFR
SCHEMBL10207550 0.80 TTK (0.47) TTKIGF1RALKACVR1HPGD

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
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed