SCHEMBL17907157

SCHEMBL17907157

CN1CCC(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 11/20 0.51
PIK3C3 Q8NEB9 8/20 0.51
PIK3CA P42336 2/20 0.47
PRKDC P78527 2/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
SYK P43405 1/20 0.35
RPS6KA3 P51812 1/20 0.35
RPS6KA2 Q15349 1/20 0.35

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
SCHEMBL17820274 0.93 ATM (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819621 0.92 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820217 0.90 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820156 0.88 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820159 0.88 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821095 0.87 TGFBR1 (0.48) ATMPIK3C3PIK3CASYK
SCHEMBL17907161 0.87 ATM (0.53) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820611 0.87 PIK3C3 (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819474 0.85 ATM (0.42) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820554 0.85 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB

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-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed