SCHEMBL2931728

SCHEMBL2931728

C=Cc1ccc(C(C)(C)N)cn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
SMO Q99835 1/20 0.30
KMT2A Q03164 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
SCHEMBL16248110 0.81 KDM4E (0.33) SMO
SCHEMBL265343 0.80 KMT2A (0.43) KMT2A
SCHEMBL29695061 0.78 SCN10A (0.33)
SCHEMBL29108369 0.78 SCN10A (0.33)
SCHEMBL16248111 0.74 KDM4E (0.32)
SCHEMBL7845107 0.73 CCR1 (0.42) PDE2AAKT1AKT2SMOKMT2A
SCHEMBL14236551 0.71 ADRA2A (0.39) PDE2AAKT1AKT2SMOKMT2A
SCHEMBL20985293 0.71 NOS3 (0.48) PDE2AAKT1AKT2
SCHEMBL24129962 0.69 PDE2A (0.38) PDE2AAKT1AKT2SMOKMT2A
SCHEMBL11971888 0.69 PDE2A (0.38) PDE2AAKT1AKT2SMOKMT2A

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-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed