SCHEMBL3785164

SCHEMBL3785164

Nc1ncc(-c2c[nH]nc2C2CCNCC2)cc1-c1cc2c(-c3ccc[nH]3)ccc(F)c2cn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
ALK Q9UM73 1/20 0.33
CDK9 P50750 5/20 0.33
CCNT1 O60563 4/20 0.33
LRRK2 Q5S007 1/20 0.33
CDK2 P24941 1/20 0.31
MAP4K3 Q8IVH8 1/20 0.31
TDO2 P48775 2/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
PIM1 P11309 1/20 0.31
MET P08581 2/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL3784722 0.88 FEN1 (0.38) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3793473 0.88 ALK (0.38) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3789023 0.85 ALK (0.36) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3787624 0.85 CCNT1 (0.38) ALOX5APFEN1CDK9CCNT1LRRK2
SCHEMBL3786748 0.85 LRRK2 (0.35) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3785350 0.84 ALK (0.35) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3785978 0.84 ALK (0.37) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3786913 0.83 MET (0.33) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3786119 0.83 ALK (0.33) ALOX5APFEN1ALKCDK9CCNT1
Hydrochloric Acid SCHEMBL3789781 0.83 ALK (0.34) ALOX5APFEN1ALKCDK9CCNT1

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