SCHEMBL18658646

SCHEMBL18658646

N#Cc1ccc2ncc3nc(Cc4ccccn4)[nH]c3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F7 P08709 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
PDE5A O76074 2/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HRH1 P35367 1/20 0.35
HTR6 P50406 1/20 0.35
CDKN1A P38936 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL18658642 0.86 CHUK (0.38) METAP2METAP1GRIN1GRIN2BCCNC
SCHEMBL18659043 0.83 GRIN1 (0.40) GRIN1GRIN2BLRRK2
SCHEMBL18658760 0.83 F2 (0.46) F2F10F7METAP2METAP1
SCHEMBL26808288 0.81 GRIN1 (0.38) GRIN1GRIN2BCCNCCDK8PDE5A
SCHEMBL18606456 0.81 LRRK2 (0.52) GRIN1GRIN2BLRRK2ALOX15TSHR
SCHEMBL18606528 0.81 LRRK2 (0.36) GRIN1GRIN2BCCNCCDK8PDE5A
SCHEMBL23935100 0.81 HPGDS (0.40) F10GRIN1GRIN2BPDE5AMAPT
SCHEMBL18658823 0.81 PDE10A (0.41) GRIN1GRIN2BCCNCCDK8MAPT
SCHEMBL18658804 0.81 LRRK2 (0.51) GRIN1GRIN2BCCNCCDK8LRRK2
SCHEMBL18659045 0.80 LRRK2 (0.38) GRIN1GRIN2BCDK8LRRK2

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-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 WO disclosed