SCHEMBL27711985

SCHEMBL27711985

CC[C@H](OC)C(=N)c1ccc2c(C3CCNCC3)ncnc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 16/20 0.40
SUV39H1 O43463 2/20 0.33
PRMT1 Q99873 2/20 0.33
SMYD3 Q9H7B4 2/20 0.33
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL27711994 1.00 MAPK7 (0.40) MAPK7SUV39H1PRMT1SMYD3EGFR
SCHEMBL27732137 0.86 MAPK7 (0.37) MAPK7SUV39H1PRMT1SMYD3KIT
SCHEMBL27732136 0.76 MAPK7 (0.36) MAPK7SUV39H1PRMT1SMYD3KIT
SCHEMBL27711987 0.75 MAPK7 (0.37) MAPK7KIT
SCHEMBL3570195 0.73 MAPK7 (0.53) MAPK7EGFR
Hydrochloric Acid SCHEMBL29055053 0.71 MAPK7 (0.53) MAPK7EGFRFGFR1FLT1FLT4
SCHEMBL21332116 0.71 MAPK7 (0.47) MAPK7EGFRFGFR1FLT1FLT4
SCHEMBL21332328 0.71 HSP90AB1 (0.41) MAPK7EGFRKIT
SCHEMBL3563598 0.70 MAPK7 (0.54) MAPK7EGFRFGFR1FLT1FLT4
SCHEMBL3565203 0.70 MAPK7 (0.41) MAPK7EGFRFGFR1FLT1KDR

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