SCHEMBL12469057

SCHEMBL12469057

NC(=O)c1ncccc1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.54
▸ MKNK2 Q9HBH9 2/20 0.54
▸ CHEK2 O96017 2/20 0.47
▸ MAP2K3 P46734 2/20 0.46
▸ CCNC P24863 7/20 0.45
▸ CDK8 P49336 7/20 0.45
▸ IKBKB O14920 2/20 0.44
▸ CHUK O15111 2/20 0.44
▸ IKBKE Q14164 1/20 0.44
▸ PKMYT1 Q99640 1/20 0.44
▸ MAPK14 Q16539 1/20 0.42
▸ PRKCI P41743 1/20 0.41
▸ EIF4E P06730 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40

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
SCHEMBL30292682 1.00 MKNK1 (0.54) MKNK1MKNK2CHEK2MAP2K3CCNC
SCHEMBL231896 0.87 MKNK1 (0.56) MKNK1MKNK2CHEK2MAP2K3IKBKB
SCHEMBL4560363 0.85 MKNK1 (0.50) MKNK1MKNK2IKBKBCHUKEIF4E
SCHEMBL28960474 0.84 MKNK1 (0.61) MKNK1MKNK2CHEK2IKBKBCHUK
SCHEMBL30165669 0.84 MKNK1 (0.56) MKNK1MKNK2CHEK2IKBKB
SCHEMBL29594571 0.84 MKNK1 (0.56) MKNK1MKNK2CHEK2IKBKB
SCHEMBL28226910 0.84 MKNK1 (0.76) MKNK1MKNK2CHEK2CDK8IKBKB
SCHEMBL2572631 0.84 MKNK1 (0.56) MKNK1MKNK2CHEK2IKBKB
SCHEMBL30039764 0.84 MKNK1 (0.61) MKNK1MKNK2CHEK2IKBKBCHUK
SCHEMBL28279600 0.84 KDM4E (0.53) MKNK1MKNK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225310-A1 HETEROARYL AMIDE INHIBITORS OF CD38 Napa Therapeutics Ltd. (VG) 2023-08-16 — — EP disclosed
WO-2022077034-A1 HETEROARYL AMIDE INHIBITORS OF CD38 NAPA THERAPEUTICS LTD. (VG) 2022-04-14 — — WO disclosed
CN-110520130-A USL-311 for treating cancer PROXIMAGEN GROUP LTD 2019-11-29 — — CN disclosed
EP-3355871-A1 COMBINATIONS OF THE BTK INHIBITOR GS-4059 WITH INHIBITORS SELECTED FROM A JAK, ASK1, BRD AND/OR MMP9 INHIBITOR TO TREAT CANCER, ALLERGIC DISORDERS, AUTOIMMUNE DISEASES OR INFLAMMATORY DISEASES Gilead Sciences, Inc. (US) 2018-08-08 — — EP disclosed
CN-107438437-A Novel treatment for cancer 普罗克斯马根有限公司 2017-12-05 — — CN disclosed
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 — — EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 — — WO disclosed
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