SCHEMBL22100989

SCHEMBL22100989

CC(C)(C)Nc1ncc(C(N)=O)c(NC2CCCC(O)C2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 18/20 1.00
▸ MAPK9 P45984 8/20 1.00
▸ ADORA3 P0DMS8 1/20 0.72
▸ MAPK10 P53779 1/20 0.72
▸ SYK P43405 2/20 0.55

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
SCHEMBL14658544 1.00 MAPK8 (1.00) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL22447049 1.00 MAPK8 (1.00) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14659020 0.98 MAPK8 (0.96) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14657983 0.91 MAPK8 (0.84) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14658027 0.91 MAPK8 (0.84) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL23244452 0.91 MAPK8 (0.84) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14658200 0.91 MAPK8 (0.84) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14658381 0.91 MAPK8 (0.84) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL24591432 0.90 MAPK8 (0.82) MAPK8MAPK9ADORA3MAPK10SYK
SCHEMBL14658827 0.90 MAPK8 (0.81) MAPK8MAPK9ADORA3MAPK10SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097940-A1 THERAPY FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
EP-3712134-B1 SALTS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE SIGNAL PHARM LLC (US) 2023-11-29 — — EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 — — EP disclosed
EP-3233809-B1 FORMULATIONS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE SIGNAL PHARM LLC (US) 2021-04-21 — — EP disclosed
EP-3795553-A1 METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN Celgene Corporation (US) 2021-03-24 — — EP disclosed
EP-3738954-A1 METHOD OF PREPARATION OF SUBSTITUTED 2,4-DIAMINO-PYRIMIDINE-5-CARBOXAMIDES Signal Pharmaceuticals, LLC (US) 2020-11-18 — — EP disclosed
EP-3712134-A1 SALTS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE Signal Pharmaceuticals, LLC (US) 2020-09-23 — — EP disclosed
EP-3099302-B1 CRYSTALLINE FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE SIGNAL PHARM LLC (US) 2020-06-17 — — EP disclosed
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