SCHEMBL439672

SCHEMBL439672

Nc1c(Br)cnc2c(Cl)ccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
CDC7 O00311 1/20 0.35
EEF2K O00418 1/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
INSR P06213 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
IGF1R P08069 1/20 0.35
ROS1 P08922 1/20 0.35
PIM1 P11309 1/20 0.35
PHKG2 P15735 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL436747 0.86 CYP3A4 (0.32) DYRK1ACDC7EEF2KPLK4AURKA
SCHEMBL438319 0.82 NQO2 (0.36) DYRK1A
SCHEMBL436999 0.82 NQO2 (0.36) DYRK1A
SCHEMBL437555 0.82 HAVCR2 (0.38) DYRK1AHAVCR2SMN1; SMN2NR4A2
SCHEMBL441951 0.74 HAVCR2 (0.58) DYRK1AHAVCR2AURKADAPK3PRKD3
SCHEMBL439423 0.74 HAVCR2 (0.36) HAVCR2SMN1; SMN2
SCHEMBL440068 0.72 HAVCR2 (0.63) HAVCR2SMN1; SMN2
SCHEMBL440009 0.72 HAVCR2 (0.38) HAVCR2
SCHEMBL439003 0.69 TET2 (0.34) DYRK1AMAP4K4EPHB4
SCHEMBL436403 0.69 POLB (0.38) DYRK1A

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed