SCHEMBL5284948

SCHEMBL5284948

O=C(O)c1ccc(Nc2cc(OC3CC3)ncn2)cc1.OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.41
CDK2 P24941 1/20 0.41
CDK6 Q00534 1/20 0.41
EGFR P00533 6/20 0.40
ERBB3 P21860 6/20 0.40
S1PR1 P21453 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AURKA O14965 2/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CHEK2 O96017 1/20 0.36
AURKB Q96GD4 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL4877863 0.92 S1PR1 (0.46) FLT3CDK2CDK6EGFRERBB3
SCHEMBL4879483 0.80 EGFR (0.49) FLT3CDK2CDK6EGFRERBB3
SCHEMBL5283878 0.76 CES2 (0.42) FLT3CDK2CDK6EGFRERBB3
Terephthalic Acid SCHEMBL31485057 0.70 TSHR (0.55)
Terephthalic Acid SCHEMBL87786 0.70 TSHR (0.55)
SCHEMBL4724653 0.69 NPC1 (0.55) EGFRERBB3NPC1RAB9AAURKA
SCHEMBL4872523 0.69 NPC1 (0.57) EGFRERBB3NPC1RAB9AAURKA
SCHEMBL1070555 0.68 GPR119 (0.47) FLT3CDK2CDK6EGFRS1PR1
SCHEMBL5244511 0.68 NPC1 (0.56) EGFRERBB3NPC1RAB9AAURKA
Terephthalic Acid SCHEMBL28820897 0.67 TSHR (0.50)

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-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed