SCHEMBL22095697

SCHEMBL22095697

CN(C)C/C=C/CNc1ccc(NC(=O)N2CC[C@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 19/20 0.76
▸ MAPK9 P45984 19/20 0.76
▸ PIKFYVE Q9Y2I7 2/20 0.76
▸ MAPK10 P53779 2/20 0.62
▸ MAPK14 Q16539 1/20 0.62
▸ CCNK O75909 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43

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
SCHEMBL22106110 0.93 MAPK8 (0.88) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22106042 0.93 MAPK8 (0.88) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22106121 0.87 MAPK8 (0.81) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22095486 0.86 MAPK8 (1.00) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22095484 0.86 MAPK8 (1.00) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22095513 0.86 MAPK8 (1.00) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22095698 0.84 MAPK8 (0.86) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22095685 0.83 MAPK8 (1.00) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22095700 0.83 MAPK8 (1.00) MAPK8MAPK9PIKFYVEMAPK10MAPK14
SCHEMBL22095687 0.83 MAPK8 (1.00) MAPK8MAPK9PIKFYVEMAPK10MAPK14

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-3893879-A1 PYRAZOLOPYRIDINE INHIBITORS OF C-JUN-N-TERMINAL KINASES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-10-20 — — EP disclosed
WO-2020123925-A1 PYRAZOLOPYRIDINE INHIBITORS OF C-JUN-N-TERMINAL KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-18 — — WO disclosed
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