SCHEMBL20103437

SCHEMBL20103437

O=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1cc2ncccn2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
PDE4B Q07343 3/20 0.38
HPGD P15428 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CRHR1 P34998 2/20 0.36
CRHR2 Q13324 1/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ENPP1 P22413 1/20 0.36
NTRK1 P04629 5/20 0.35
KMT2A Q03164 2/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL20103203 0.86 SMYD3 (0.44) PDE4BHPGDKDM4EHSD17B10KMT2A
SCHEMBL18208278 0.84 PDE4B (0.41) PDE4BHPGDCRHR1CRHR2KMT2A
SCHEMBL18208276 0.84 PDE4B (0.41) PDE4BHPGDCRHR1CRHR2KMT2A
SCHEMBL18208502 0.83 IRAK4 (0.49) KDM4EHSD17B10
SCHEMBL18208548 0.83 IRAK4 (0.49) KDM4EHSD17B10
SCHEMBL18209065 0.83 IRAK4 (0.49) KDM4EHSD17B10
SCHEMBL18208197 0.79 IRAK4 (0.48) KDM4EHSD17B10
SCHEMBL18208199 0.79 IRAK4 (0.48) KDM4EHSD17B10
SCHEMBL18208638 0.78 NTRK1 (0.41) PDE4BHPGDCRHR1CRHR2NTRK1
SCHEMBL18208668 0.78 KDM4E (0.47) HPGDCRHR1CRHR2KDM4EHSD17B10

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-2018078005-A1 AMIDO-SUBSTITUTED AZASPIRO DERIVATIVES AS TANKYRASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed