SCHEMBL20184312

SCHEMBL20184312

Cn1nc2c(c1-c1ccncc1)CCN(C=O)C2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.43
▸ NSD3 Q9BZ95 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ BUB1 O43683 1/20 0.31

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
SCHEMBL20184276 0.86 P2RX7 (0.49) P2RX7
SCHEMBL18880721 0.84 P2RX7 (0.47) P2RX7CREBBPPDE10APDE4D
SCHEMBL21819349 0.69 P2RX7 (0.67) P2RX7CREBBP
SCHEMBL6294533 0.64 P2RX7 (0.54) P2RX7ALDH1A1KMT2AMAPK1
SCHEMBL21818604 0.64 P2RX7 (0.59) P2RX7MAPK1
SCHEMBL11982661 0.63 P2RX7 (0.52) P2RX7ALDH1A1KMT2AMAPK1
SCHEMBL8064260 0.63 PTGER1 (0.46) NSD3ALDH1A1BRAFMAPK3MAPK1
SCHEMBL21819399 0.63 P2RX7 (0.64) P2RX7SMN1; SMN2
SCHEMBL21863402 0.62 POLB (0.46) P2RX7KMT2AGAA
SCHEMBL10326542 0.60 P2RX7 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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