SCHEMBL21068073

SCHEMBL21068073

COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 12/20 1.00
▸ MAPK14 Q16539 11/20 1.00
▸ MAPK8 P45983 10/20 1.00
▸ PIP5K1C O60331 2/20 0.55
▸ PIK3CA P42336 2/20 0.55
▸ GSK3B P49841 4/20 0.54
▸ BUB1 O43683 2/20 0.54
▸ PIP5K1B O14986 1/20 0.53
▸ PIP5K1A Q99755 1/20 0.53
▸ CDK1 P06493 2/20 0.52
▸ CDK2 P24941 2/20 0.52
▸ CDK9 P50750 2/20 0.52
▸ CDK3 Q00526 2/20 0.52
▸ CDK5 Q00535 2/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ CCNT1 O60563 1/20 0.52
▸ CCNB1 P14635 1/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ CCNA1 P78396 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52

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
SCHEMBL17223597 1.00 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518805 1.00 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518737 0.89 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518633 0.89 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518970 0.89 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518865 0.83 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL12656770 0.82 MAPK14 (0.67) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518733 0.81 MAPK10 (0.72) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL12656748 0.81 MAPK14 (0.65) MAPK10MAPK14MAPK8PIP5K1CPIK3CA
SCHEMBL1518834 0.80 MAPK10 (1.00) MAPK10MAPK14MAPK8PIP5K1CPIK3CA

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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