SCHEMBL3784722

SCHEMBL3784722

Nc1ncc(-c2c[nH]nc2C2CCNCC2)cc1-c1cc2c(-c3ccccc3)ccc(F)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.38
ALOX5AP P20292 5/20 0.38
LRRK2 Q5S007 1/20 0.36
MAPK1 P28482 1/20 0.36
ALK Q9UM73 1/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
PIM1 P11309 2/20 0.34
MAP4K4 O95819 1/20 0.33
MAP4K3 Q8IVH8 3/20 0.33
JAK2 O60674 1/20 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
Hydrochloric Acid SCHEMBL3793473 0.91 ALK (0.38) FEN1ALOX5APLRRK2MAPK1ALK
Hydrochloric Acid SCHEMBL3787624 0.91 CCNT1 (0.38) FEN1ALOX5APLRRK2CCNT1CDK9
SCHEMBL3785164 0.88 ALOX5AP (0.34) FEN1ALOX5APLRRK2ALKCCNT1
Hydrochloric Acid SCHEMBL3789023 0.88 ALK (0.36) FEN1ALOX5APLRRK2ALKCCNT1
SCHEMBL3786748 0.88 LRRK2 (0.35) FEN1ALOX5APLRRK2ALKMAP3K7
Hydrochloric Acid SCHEMBL3786913 0.88 MET (0.33) FEN1ALOX5APLRRK2ALKCCNT1
Hydrochloric Acid SCHEMBL3785350 0.87 ALK (0.35) FEN1ALOX5APLRRK2ALKCCNT1
Hydrochloric Acid SCHEMBL3785978 0.87 ALK (0.37) FEN1ALOX5APLRRK2ALKCCNT1
Hydrochloric Acid SCHEMBL3786119 0.86 ALK (0.33) FEN1ALOX5APLRRK2ALKCCNT1
Hydrochloric Acid SCHEMBL3789781 0.85 ALK (0.34) FEN1ALOX5APLRRK2ALKCCNT1

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