SCHEMBL17328320

SCHEMBL17328320

C[C@H]1CCCC[C@H]1Oc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
RXFP1 Q9HBX9 2/20 0.37
RBP4 P02753 1/20 0.36
CSNK1D P48730 7/20 0.35
CSNK1E P49674 7/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
IDO1 P14902 1/20 0.34
PIK3CA P42336 1/20 0.33
RIPK1 Q13546 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
WDR5 P61964 1/20 0.32
TTK P33981 1/20 0.32

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
SCHEMBL9956520 1.00 KDR (0.39) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9957635 1.00 KDR (0.39) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9956302 0.89 KDR (0.41) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9955120 0.86 KDR (0.40) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9957101 0.85 WDR5 (0.42) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9955843 0.85 WDR5 (0.40) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9957558 0.84 RBP4 (0.44) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9957462 0.83 RBP4 (0.44) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9956979 0.81 RXFP1 (0.41) KDRRXFP1RBP4CSNK1DCSNK1E
SCHEMBL9956844 0.81 RXFP1 (0.43) KDRRXFP1CSNK1DCSNK1EPIK3CA

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
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP disclosed