SCHEMBL3789068

SCHEMBL3789068

Nc1ncc(-c2c[nH]nc2C2CCNCC2)cc1-c1cc2ccc(F)cc2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GRK5 P34947 4/20 0.37
GRK2 P25098 3/20 0.37
LRRK2 Q5S007 1/20 0.37
JAK2 O60674 2/20 0.36
ABL1 P00519 1/20 0.36
MET P08581 1/20 0.35
TDO2 P48775 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ALK Q9UM73 2/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 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
SCHEMBL3792500 0.96 CASP3 (0.39) L3MBTL1GRK5GRK2LRRK2JAK2
SCHEMBL3790505 0.90 LRRK2 (0.36) GRK5GRK2LRRK2METFGFR1
Hydrochloric Acid SCHEMBL3790288 0.89 MET (0.38) GRK5GRK2LRRK2JAK2MET
Hydrochloric Acid SCHEMBL3791572 0.89 LRRK2 (0.36) GRK5GRK2LRRK2ABL1MET
Hydrochloric Acid SCHEMBL3788088 0.88 LRRK2 (0.40) GRK5GRK2LRRK2METFGFR1
Hydrochloric Acid SCHEMBL3784591 0.88 MAP4K3 (0.37) GRK5GRK2LRRK2MAP4K3ALOX5AP
Hydrochloric Acid SCHEMBL3792299 0.88 LRRK2 (0.45) GRK5GRK2LRRK2CASP3SENP7
Hydrochloric Acid SCHEMBL3791784 0.87 TYRO3 (0.38) GRK5GRK2LRRK2FGFR1FGFR2
Hydrochloric Acid SCHEMBL3786764 0.87 LRRK2 (0.40) GRK5GRK2LRRK2METMKNK1
Hydrochloric Acid SCHEMBL3787602 0.87 SLC6A2 (0.39) GRK5GRK2LRRK2FGFR1FGFR2

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-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed