SCHEMBL2200647

SCHEMBL2200647

Fc1cc(F)cc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.58
LRRK2 Q5S007 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
FFAR2 O15552 1/20 0.35
JAK3 P52333 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
SCHEMBL2201802 1.00 METAP2 (0.58) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2198675 0.90 METAP2 (0.73) METAP2ADORA3ADORA2AADORA1
SCHEMBL2198683 0.90 METAP2 (0.73) METAP2ADORA3ADORA2AADORA1
SCHEMBL2201244 0.89 METAP2 (0.71) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2201241 0.89 METAP2 (0.71) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2199920 0.87 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2199910 0.87 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2200911 0.85 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2200916 0.85 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL3602228 0.85 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706378-B1 Systems and methods for solution separation for ground-augmented multi-constellation terminal area navigation and precision approach guidance HONEYWELL INT INC (US) 2014-09-24 EP claimed
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP claimed
EP-2706378-A1 Systems and methods for solution separation for ground-augmented multi-constellation terminal area navigation and precision approach guidance Honeywell International Inc. (US) 2014-03-12 EP claimed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US claimed
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed