SCHEMBL22309151

SCHEMBL22309151

CN1CCN(c2ccc(C3=NNC(=O)CN3)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.48
PDE3A Q14432 11/20 0.48
KDM4E B2RXH2 1/20 0.43
AXL P30530 2/20 0.42
WDR5 P61964 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22308892 0.86 PDE3B (0.62) PDE3BPDE3ANPC1RAB9ASMN1; SMN2
SCHEMBL22309157 0.85 PDE3B (0.59) PDE3BPDE3ACDK4CCND3
SCHEMBL22309145 0.78 PDE3B (0.42) PDE3BPDE3A
SCHEMBL22309166 0.73 PDE3B (0.54) PDE3BPDE3A
SCHEMBL22308358 0.73 PDE3B (0.44) PDE3BPDE3ANPC1RAB9A
SCHEMBL4196668 0.72 PARP1 (0.43) PDE3BPDE3A
SCHEMBL22307790 0.71 PDE3B (0.61) PDE3BPDE3A
SCHEMBL22307819 0.70 PDE3B (0.60) PDE3BPDE3A
SCHEMBL22309150 0.70 PDE3B (0.45) PDE3BPDE3ASMN1; SMN2
SCHEMBL22309155 0.69 PDE3B (0.47) PDE3BPDE3A

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-2020157189-A1 1,2,4-TRIAZIN-6(1H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed