SCHEMBL20184306

SCHEMBL20184306

CC1c2n[nH]c(-c3cnccn3)c2CCN1C=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.32
GRM5 P41594 1/20 0.30
GRM1 Q13255 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
SCHEMBL20184280 0.84 PPARG (0.37) P2RX7PIM1
SCHEMBL16093720 0.71 P2RX7 (0.73) P2RX7
SCHEMBL20184275 0.67 P2RX7 (0.53) P2RX7
SCHEMBL18860817 0.67 P2RX7 (0.50) P2RX7
SCHEMBL21239648 0.65 P2RX7 (0.48) P2RX7
SCHEMBL15019739 0.61 TRPM8 (0.35)
SCHEMBL20184283 0.58 P2RX7 (0.33) P2RX7
SCHEMBL20184289 0.58 P2RX7 (0.50) P2RX7
SCHEMBL15020409 0.56 PPARG (0.39)
SCHEMBL20184281 0.56 P2RX7 (0.53) P2RX7

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
EP-2970267-B3 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-30 EP claimed