SCHEMBL22013266

SCHEMBL22013266

N/C(=N\O)c1c(Cl)cnc2ccc(N3CCC(F)C3)nc12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 14/20 0.43
P2RX7 Q99572 6/20 0.41

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
SCHEMBL22013253 0.80 MAP4K4 (0.45) MAP4K4P2RX7
SCHEMBL23836993 0.77 MAP4K4 (0.42) MAP4K4P2RX7
SCHEMBL22013660 0.77 MAP4K4 (0.42) MAP4K4P2RX7
SCHEMBL22013614 0.76 MAP4K4 (0.47) MAP4K4P2RX7
SCHEMBL23837028 0.76 MAP4K4 (0.47) MAP4K4P2RX7
SCHEMBL23836945 0.76 MAP4K4 (0.37) MAP4K4P2RX7
SCHEMBL22013148 0.76 NTRK1 (0.43)
SCHEMBL23836961 0.74 MELK (0.41) MAP4K4P2RX7
SCHEMBL23836966 0.74 MELK (0.41) MAP4K4P2RX7
SCHEMBL23837046 0.73 MAP4K4 (0.56) MAP4K4

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-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 WO disclosed