SCHEMBL23143409

SCHEMBL23143409

c1cnc2nc(-c3ccncc3)cnc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.60
ACHE P22303 3/20 0.60
MAPK14 Q16539 1/20 0.50
MAPK1 P28482 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
AR P10275 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MET P08581 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41
PRKDC P78527 1/20 0.40
ATR Q13535 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
SCHEMBL9908948 0.83 BCHE (0.65) BCHEACHEMAPK1NPC1RAB9A
SCHEMBL9908947 0.83 BCHE (0.57) BCHEACHEMAPK1NPC1RAB9A
SCHEMBL23143300 0.79 NPC1 (0.65) BCHEMAPK1PDGFRBPDGFRANPC1
SCHEMBL14901127 0.76 MAPK1 (0.44) BCHEACHEMAPK1PDGFRBPDGFRA
SCHEMBL23143310 0.76 NPC1 (0.48) BCHEACHEMAPK14MAPK1NPC1
SCHEMBL17879151 0.75 BCHE (0.49) BCHEACHEPDGFRBNPC1RAB9A
SCHEMBL10988703 0.74 NPC1 (0.56) MAPK14NPC1RAB9ACYP1A2CYP3A4
SCHEMBL12986794 0.72 BCHE (0.57) BCHEACHEMAPK1NPC1RAB9A
SCHEMBL23143408 0.72 MAPK1 (0.54) BCHEMAPK1PDGFRBPDGFRANPC1
SCHEMBL23143410 0.72 MAPK1 (0.54) BCHEMAPK1PDGFRBPDGFRANPC1

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
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed