SCHEMBL20042866

SCHEMBL20042866

CCCc1cncn1C(=O)N1Cc2nc(C)nc(N3CCC3)c2C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.33
MTOR P42345 2/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM4 P08173 1/20 0.31
GPR142 Q7Z601 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20042791 0.75 SMN1; SMN2 (0.37) NPY5RKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL20042797 0.75 LMNA (0.42) MTORKDM4ESMN1; SMN2CHRM4
SCHEMBL20042804 0.74 ALDH1A1 (0.40) NPY5RKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL20042870 0.72 KDM4E (0.35) NPY5RMTORKDM4ESMN1; SMN2MEN1
SCHEMBL20042800 0.70 CNR1 (0.45) MTORSMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL20042806 0.70 CNR1 (0.47) SMN1; SMN2CHRM4MEN1KMT2A
SCHEMBL20042690 0.70 GFER (0.41) CHRM4MEN1KMT2A
SCHEMBL20042873 0.70 P2RX7 (0.38) KDM4EMEN1KMT2A
SCHEMBL20042764 0.69 CNR1 (0.49) SMN1; SMN2MEN1KMT2A
SCHEMBL20042670 0.69 MTOR (0.47) MTORSMN1; SMN2MEN1KMT2A

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed