SCHEMBL13153404

SCHEMBL13153404

CCOc1ccc2c(N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(C3CCC3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.35
PRKDC P78527 2/20 0.35
STS P08842 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTR3A P46098 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE9A O76083 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
MTOR P42345 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13153363 0.94 PIK3CA (0.35) PIK3CAPRKDCSTSHTR3AMEN1
SCHEMBL13151969 0.94 HTR3A (0.36) PIK3CAPRKDCSTSNPSR1HTR3A
SCHEMBL12950295 0.93 STS (0.35) PIK3CAPRKDCSTSNPSR1HTR3A
SCHEMBL13053607 0.87 AXL (0.34) STSNPSR1
SCHEMBL14467708 0.87 HTR3A (0.33) PIK3CAPRKDCSTSHTR3AMTOR
SCHEMBL10096738 0.86 PIK3CA (0.34) PIK3CAPRKDCSTSNPSR1HTR3A
SCHEMBL10097537 0.85 PIK3CA (0.36) PIK3CAPRKDCHTR3AMEN1KMT2A
SCHEMBL13151683 0.84 PIK3CA (0.36) PIK3CAPRKDCMEN1KMT2AMAPT
SCHEMBL13151681 0.84 LMNA (0.42) PIK3CAPRKDCMEN1KMT2AMAPT
SCHEMBL13153361 0.84 TDP1 (0.40) PIK3CAPRKDCMEN1KMT2AKDM4E

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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed