SCHEMBL27711990

SCHEMBL27711990

CC(C=O)N1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.36
FGFR2 P21802 1/20 0.35
MAPK7 Q13164 6/20 0.34
KHK P50053 2/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL4961532 0.88 PRKDC (0.35) PRKDCMAPK7
SCHEMBL27711989 0.86 FGFR2 (0.38) PRKDCFGFR2MAPK7KHKKIT
SCHEMBL27732135 0.85 MAPK7 (0.33) PRKDCFGFR2MAPK7KHK
SCHEMBL3572685 0.83 MEN1 (0.46) PRKDCFGFR2MAPK7KHKKIT
SCHEMBL5604298 0.83 PRKDC (0.42) PRKDCKHKKIT
SCHEMBL5604831 0.81 PRKDC (0.50) PRKDC
SCHEMBL5604488 0.81 PRKDC (0.47) PRKDC
SCHEMBL3571699 0.81 HTR6 (0.38) PRKDC
SCHEMBL3566238 0.81 ACVR1 (0.45) PRKDCMAPK7KHK
SCHEMBL27711997 0.80 MAPK7 (0.36) PRKDCFGFR2MAPK7KIT

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