SCHEMBL20042741

SCHEMBL20042741

Cc1nc2c(c(N3CC(F)C3)n1)CN(C(=O)c1ccc(C)c(Cl)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
P2RX7 Q99572 7/20 0.43
PDE4B Q07343 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR3 P29371 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
RAB9A P51151 1/20 0.36
MTHFD2 P13995 1/20 0.35
KDM1A O60341 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL20042752 0.88 HPGD (0.47) HPGDP2RX7MAPTMEN1ALDH1A1
SCHEMBL20042886 0.81 HPGD (0.49) HPGDP2RX7KMT2ATACR3HTR1A
SCHEMBL20042667 0.81 TACR3 (0.46) P2RX7TACR3HTR1A
SCHEMBL20042887 0.81 GPR6 (0.42) HPGDP2RX7MAPTALDH1A1
SCHEMBL20042671 0.79 P2RX7 (0.45) HPGDP2RX7MAPTALDH1A1KMT2A
SCHEMBL20042792 0.79 TACR3 (0.46) HPGDP2RX7MAPTMEN1KMT2A
SCHEMBL20042880 0.78 P2RX7 (0.40) HPGDP2RX7MAPTMEN1ALDH1A1
SCHEMBL20042823 0.78 P2RX7 (0.45) HPGDP2RX7MEN1ALDH1A1LMNA
SCHEMBL20042862 0.78 HPGD (0.48) HPGDP2RX7MAPTMEN1ALDH1A1
SCHEMBL20042680 0.77 GPR6 (0.44) HPGDP2RX7MAPTMEN1ALDH1A1

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