SCHEMBL13086341

SCHEMBL13086341

CC(C)c1ccn2nc(C(C)C)nc2n1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL20393411 0.81 NPC1 (0.32)
SCHEMBL31728102 0.75 P2RX3 (0.32)
SCHEMBL9833178 0.74
SCHEMBL12091358 0.70 NPC1 (0.42)
SCHEMBL13934564 0.70 PDE10A (0.41)
SCHEMBL798496 0.69 AHR (0.35)
Hydrochloric Acid SCHEMBL31728514 0.69 PDE10A (0.40)
SCHEMBL9833410 0.69 RAB9A (0.60)
SCHEMBL22800215 0.68 AHR (0.32)
SCHEMBL13086589 0.67 KDM5B (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed