SCHEMBL17834290

SCHEMBL17834290

CCc1nc(-c2cccc(-c3ccncc3)c2)nc(-c2cccc(-c3ccncc3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.45
PRKCI P41743 1/20 0.45
KIF11 P52732 1/20 0.45
NOTUM Q6P988 1/20 0.41
PDE4B Q07343 7/20 0.40
DHFR P00374 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP17A1 P05093 4/20 0.39
PDE4D Q08499 4/20 0.39
S1PR1 P21453 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL22376564 0.94 SMN1; SMN2 (0.44) PRMT6PRKCIKIF11NOTUMPDE4B
SCHEMBL26083938 0.88 PDE4B (0.44) PDE4BPDE4D
SCHEMBL23775951 0.86 L3MBTL1 (0.47) PDE4BPDE4D
SCHEMBL19274949 0.86 NOTUM (0.54) PRMT6PRKCIKIF11NOTUMMAPK14
SCHEMBL19270247 0.86 NOTUM (0.54) PRMT6PRKCIKIF11NOTUMMAPK14
SCHEMBL17834294 0.84 CYP11B2 (0.48) PRMT6DHFRCYP17A1S1PR1CYP3A4
SCHEMBL17467256 0.83 PDE4B (0.43) PDE4BPDE4D
SCHEMBL18327489 0.82 NOTUM (0.62) PRMT6PRKCIKIF11NOTUMMAPK14
SCHEMBL19270246 0.82 NOTUM (0.62) PRMT6PRKCIKIF11NOTUMMAPK14
SCHEMBL17343253 0.82 NOTUM (0.50) PRMT6PRKCIKIF11NOTUMMAPK14

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-2016091887-A2 AMBIPOLAR HOST MATERIALS AND USE THEREOF CYNORA GMBH (DE) 2016-06-16 WO disclosed