SCHEMBL27711997

SCHEMBL27711997

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 11/20 0.36
PRKDC P78527 5/20 0.36
KIT P10721 1/20 0.34
FGFR2 P21802 1/20 0.34
ABL1 P00519 1/20 0.34
SUV39H1 O43463 1/20 0.33
PRMT1 Q99873 1/20 0.33
SMYD3 Q9H7B4 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
SCHEMBL27732132 0.89 MAPK7 (0.36) MAPK7PRKDCKITFGFR2
SCHEMBL27711989 0.86 FGFR2 (0.38) MAPK7PRKDCKITFGFR2ABL1
SCHEMBL27711980 0.85 SSTR1 (0.34) MAPK7PRKDCKITFGFR2
SCHEMBL3566306 0.83 SMN1; SMN2 (0.40) MAPK7PRKDCKIT
SCHEMBL4961532 0.82 PRKDC (0.35) MAPK7PRKDCSUV39H1PRMT1SMYD3
SCHEMBL4966092 0.82 KHK (0.41) MAPK7PRKDCKITSUV39H1PRMT1
SCHEMBL5604298 0.81 PRKDC (0.42) PRKDCKIT
SCHEMBL3566238 0.81 ACVR1 (0.45) MAPK7PRKDC
SCHEMBL3571785 0.81 HTT (0.43) PRKDCKITFGFR2
SCHEMBL27711990 0.80 PRKDC (0.36) MAPK7PRKDCKITFGFR2

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