SCHEMBL20042880

SCHEMBL20042880

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)c1ccc(C(F)F)c(Cl)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.40
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LRRK2 Q5S007 2/20 0.35
TACR3 P29371 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PKM P14618 1/20 0.34
GBA1 P04062 2/20 0.34
IDH1 O75874 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
SCHEMBL20042884 0.92 P2RX7 (0.40) P2RX7HPGDMEN1LMNAMAPT
SCHEMBL20042882 0.89 P2RX7 (0.41) P2RX7MEN1KMT2ATACR3CNR1
SCHEMBL20042752 0.88 HPGD (0.47) P2RX7HPGDMEN1LMNAMAPT
SCHEMBL20042886 0.88 HPGD (0.49) P2RX7HPGDKMT2ATACR3PKM
SCHEMBL20042667 0.87 TACR3 (0.46) P2RX7TACR3
SCHEMBL20042911 0.86 P2RX7 (0.39) P2RX7HPGDMEN1LMNAMAPT
SCHEMBL20042792 0.85 TACR3 (0.46) P2RX7HPGDMEN1MAPTKMT2A
SCHEMBL20042887 0.85 GPR6 (0.42) P2RX7HPGDMAPTALDH1A1CNR1
SCHEMBL20042680 0.83 GPR6 (0.44) P2RX7HPGDMEN1LMNAMAPT
SCHEMBL20042733 0.83 MEN1 (0.41) P2RX7HPGDMEN1KMT2AALDH1A1

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