SCHEMBL27711981

SCHEMBL27711981

O=CC(CC1c2ccccc2-c2ccccc21)N1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.33
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
SSTR3 P32745 1/20 0.31
KHK P50053 2/20 0.31
FGFR2 P21802 1/20 0.31
HTR6 P50406 1/20 0.31
KIT P10721 2/20 0.30

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
SCHEMBL27711980 0.89 SSTR1 (0.34) PRKDCSSTR1SSTR2SSTR4SSTR3
SCHEMBL3564719 0.82 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3KHK
SCHEMBL27732135 0.82 MAPK7 (0.33) PRKDCKHKFGFR2
SCHEMBL4961532 0.80 PRKDC (0.35) PRKDC
SCHEMBL27711990 0.80 PRKDC (0.36) PRKDCKHKFGFR2KIT
SCHEMBL5604298 0.75 PRKDC (0.42) PRKDCKHKHTR6KIT
SCHEMBL27711997 0.75 MAPK7 (0.36) PRKDCFGFR2KIT
SCHEMBL27711989 0.74 FGFR2 (0.38) PRKDCKHKFGFR2HTR6KIT
SCHEMBL5604488 0.74 PRKDC (0.47) PRKDC
SCHEMBL5604831 0.74 PRKDC (0.50) PRKDC

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
CN-101243065-A Intermediates for the synthesis of alkylquinoline and alkylquinazoline kinase modulators and related synthetic methods JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed