SCHEMBL20765693

SCHEMBL20765693

COc1ccc(-c2cnn(C)c2)c(N)c1N.COc1ccc(-c2cnn(C)c2)c2nc(N)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
BTK Q06187 2/20 0.36
LCK P06239 1/20 0.36
LRRK2 Q5S007 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
TTK P33981 5/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
CSF1R P07333 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 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
SCHEMBL20764981 0.94 PLAU (0.41) PLAUBTKLCKLRRK2AAK1
SCHEMBL20795058 0.85 PLAU (0.41) PLAUBTKLRRK2AAK1LOXL2
SCHEMBL30609169 0.84 PLAU (0.45) PLAUBTKLCKLRRK2AAK1
SCHEMBL20765130 0.84 PLAU (0.45) PLAUBTKLCKLRRK2AAK1
SCHEMBL20765056 0.78 USP30 (0.38) LRRK2AAK1
SCHEMBL20764980 0.78 BTK (0.44) PLAUBTKLCKAAK1LOXL2
SCHEMBL20765684 0.75 PIK3CD (0.38) LRRK2PIK3CDPIK3CAPIK3CGTTK
SCHEMBL22183206 0.75 ERN1 (0.38) PLAULRRK2AAK1LOXL2TTK
SCHEMBL20765041 0.74 FGFR1 (0.41) FGFR1FGFR2
SCHEMBL29889203 0.74 FGFR1 (0.41) FGFR1FGFR2

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-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP disclosed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed