SCHEMBL3126013

SCHEMBL3126013

Cc1cc(N2CCOCC2)sc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.52
PRKDC P78527 9/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
LRRK2 Q5S007 2/20 0.38
CSF1R P07333 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL3121805 0.86 PRKDC (0.48) IKBKBPRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3119596 0.86 PIK3CD (0.56) IKBKBPRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL3235183 0.78 RIPK2 (0.46) PRKDCALDH1A1KDM4EGAAMAPT
SCHEMBL10298276 0.75 PRKDC (0.49) PRKDCALDH1A1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL5010640 0.72 PIK3CD (0.74) IKBKBPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL10298247 0.72 PIK3CD (0.50) PRKDCPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL2770127 0.70 MAPT (0.49) IKBKBPRKDCALDH1A1KDM4EGAA
SCHEMBL28725597 0.70 MAPT (0.55) PRKDCALDH1A1KDM4EGAAMAPT
SCHEMBL31078702 0.70 ATM (0.46) IKBKBPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL28725552 0.70 IKBKB (0.43) IKBKBPRKDCPIK3CAPIK3CDPIK3CB

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
WO-2010001126-A1 THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-01-07 WO disclosed