SCHEMBL20041300

SCHEMBL20041300

CN1CCN(C(=O)Nc2cncc(Cc3cnc4[nH]nc(-c5nc6c(C(N)=O)ccnc6[nH]5)c4c3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 8/20 0.39
CLK2 P49760 7/20 0.39
CLK3 P49761 7/20 0.39
DYRK1A Q13627 7/20 0.39
TGFBR1 P36897 2/20 0.38
FAAH O00519 1/20 0.36
PARP1 P09874 2/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL12370051 0.89 WNT1 (0.47) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12370101 0.82 CLK2 (0.46) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12370048 0.81 CLK2 (0.49) WNT1CLK2CLK3DYRK1AAURKA
SCHEMBL12370073 0.80 WNT1 (0.46) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12370159 0.80 WNT1 (0.46) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12370189 0.80 CLK2 (0.45) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12370132 0.79 CLK2 (0.47) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12370050 0.78 WNT1 (0.54) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12395479 0.78 WNT1 (0.46) WNT1CLK2CLK3DYRK1ATGFBR1
SCHEMBL12370300 0.78 CLK2 (0.53) WNT1CLK2CLK3DYRK1ATGFBR1

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-3305073-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF Samumed, LLC (US) 2018-04-11 EP disclosed