SCHEMBL27976005

SCHEMBL27976005

CNC(C)c1cc(OC)c2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.40

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
SCHEMBL20666239 0.85 DYRK1A (0.48) DYRK1APDGFRBPDGFRAHSP90AA1HSP90AB1
SCHEMBL27976001 0.82 DYRK1A (0.46) DYRK1APDGFRBPDGFRAHSP90AA1HSP90AB1
SCHEMBL27976000 0.82 DYRK1A (0.46) DYRK1APDGFRBPDGFRAHSP90AA1HSP90AB1
SCHEMBL28813576 0.79 KDM4E (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL27976334 0.76 MEN1 (0.44) DYRK1AHSP90AA1HSP90AB1MEN1NPC1
SCHEMBL20675592 0.76 IDO1 (0.53) DYRK1AHSP90AA1HSP90AB1MEN1NPC1
SCHEMBL27976323 0.74 PLK1 (0.44) MEN1NPC1RAB9AKMT2A
SCHEMBL25248278 0.73 PDGFRB (0.51) DYRK1APDGFRBPDGFRAMEN1NPC1
SCHEMBL1556194 0.73 CYP1A2 (0.52) DYRK1APDGFRBPDGFRAHSP90AA1HSP90AB1
SCHEMBL13301167 0.73 PSMD14 (0.59) DYRK1APDGFRBPDGFRAHSP90AA1MEN1

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
CN-103980194-A 6,8-disubstituted quinoline compound or pharmaceutically acceptable salt thereof, preparing method and application of same ZHEJIANG ACADEMY MEDICAL SCI 2014-08-13 CN disclosed