SCHEMBL7149804

SCHEMBL7149804

CCN1CCN(c2ccc(-c3cc(OC)c4c(-c5ccccc5)c(C#N)c(N)nc4c3)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ADORA2A P29274 6/20 0.39
ADORA1 P30542 3/20 0.39
PRKDC P78527 1/20 0.39
KDM4E B2RXH2 6/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
HSD17B10 Q99714 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
ADRA2A P08913 2/20 0.38
MAPT P10636 3/20 0.37

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
SCHEMBL7149809 0.83 ALDH1A1 (0.43) LMNAADORA2AADORA1PRKDCKDM4E
SCHEMBL7149801 0.77 PIP4K2A (0.44) ADORA2AADORA1PRKDCKDM4EHSD17B10
SCHEMBL7166270 0.74 SRC (0.48) LMNAADORA2AADORA1PRKDCCCNA2
SCHEMBL7202387 0.71 JAK1 (0.44) LMNAADORA2AADORA1KDM4EHSD17B10
SCHEMBL16618011 0.68 LMNA (0.45) LMNAKDM4EHPGDALDH1A1MAPT
SCHEMBL7913437 0.65 LMNA (0.51) LMNAADORA2AADORA1KDM4EHSD17B10
SCHEMBL5209830 0.65 TGFBR1 (0.52) KDM4EHSD17B10RXFP1HPGDALDH1A1
SCHEMBL27470171 0.65 ADORA2A (0.58) LMNAADORA2AADORA1KDM4EHSD17B10
SCHEMBL5208695 0.64 ACVR1 (0.53) KDM4ERXFP1ALDH1A1ADRA2AMAPT
Hydrochloric Acid SCHEMBL5210606 0.63 ACVR1 (0.52) KDM4ERXFP1ALDH1A1ADRA2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed