SCHEMBL1704493

SCHEMBL1704493

CN(C)C1CCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)C1.Cc1ccc2[nH]c(-c3cc(N4CCC[C@H](C(=O)N5CCOCC5)C4)ccc3Cl)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
DGAT2 Q96PD7 8/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.39
ATR Q13535 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1704494 1.00 NOTUM (0.44) NOTUMDGAT2PDGFRBFGFR1KDR
SCHEMBL1284182 0.91 DGAT2 (0.42) NOTUMDGAT2ATR
SCHEMBL1284181 0.91 DGAT2 (0.42) NOTUMDGAT2ATR
SCHEMBL1625621 0.91 DGAT2 (0.42) NOTUMDGAT2ATR
SCHEMBL1283949 0.89 ATR (0.46) NOTUMDGAT2PDGFRBFGFR1KDR
SCHEMBL1283946 0.89 ATR (0.46) NOTUMDGAT2PDGFRBFGFR1KDR
SCHEMBL1283734 0.89 ATR (0.43) NOTUMDGAT2PDGFRBFGFR1KDR
SCHEMBL1284155 0.89 ATR (0.46) NOTUMDGAT2PDGFRBFGFR1KDR
SCHEMBL1624030 0.89 DGAT2 (0.45) NOTUMDGAT2ATRMAPT
SCHEMBL1625258 0.89 DGAT2 (0.45) NOTUMDGAT2ATRMAPT

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-2440544-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2012-04-18 EP claimed
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 WO claimed