SCHEMBL13625128

SCHEMBL13625128

Nc1ncc(N2CCNCC2)cc1-c1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.56
KCNH2 Q12809 2/20 0.56
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
GRK5 P34947 7/20 0.49
GRK2 P25098 6/20 0.49
ALK Q9UM73 1/20 0.49
AXL P30530 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
ATR Q13535 1/20 0.46

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
SCHEMBL2388637 0.88 TGFBR1 (0.63) METKCNH2GRK5GRK2ALK
SCHEMBL13625279 0.87 MET (0.56) METKCNH2GRK5GRK2AXL
SCHEMBL2386643 0.87 TGFBR1 (0.64) METKCNH2GRK5GRK2ALK
SCHEMBL13625199 0.85 MET (0.54) METKCNH2GRK5GRK2ALK
SCHEMBL2386250 0.84 MET (0.55) METKCNH2GRK5GRK2ALK
SCHEMBL2386003 0.83 MET (0.61) METKCNH2GRK5GRK2ALK
SCHEMBL2387128 0.82 MET (0.55) METKCNH2GRK5GRK2ALK
SCHEMBL13625689 0.82 MET (0.49) METKCNH2GRK5GRK2ALK
SCHEMBL13625187 0.80 MET (0.61) MET
SCHEMBL13625197 0.80 MET (0.51) MET

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
WO-2009139576-A2 PYRIDINE DERIVATIVES SUBSTITUTED WITH NOVEL BENZOXAZOLES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS FOR PREVENTION AND TREATMENT OF ABNORMAL CELL GROWTH DISEASE 한국화학연구원 (KR) 2009-11-19 WO disclosed