⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18859426 | 0.98 | CYP2B6 (0.32) | — | |
| SCHEMBL18872255 | 0.80 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL15337136 | 0.78 | CYP2B6 (0.30) | — | |
| SCHEMBL10170786 | 0.74 | — | — | |
| SCHEMBL24620018 | 0.73 | — | — | |
| SCHEMBL24663779 | 0.71 | CYP2B6 (0.34) | — | |
| SCHEMBL23336586 | 0.69 | CYP2B6 (0.38) | — | |
| SCHEMBL178517 | 0.69 | CYP2B6 (0.33) | — | |
| SCHEMBL22871678 | 0.69 | CYP2B6 (0.38) | — | |
| SCHEMBL16072542 | 0.67 | NPC1 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8563559-B2 | Pinane-substituted pyrimidinediamine derivatives useful as Axl inhibitors | RIGEL PHARMACEUTICALS, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-20120088768-A1 | PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2012-04-12 | — | — | US | disclosed |
| US-8097630-B2 | Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the dthe activity of the receptor protein tyrosine kinase Axl. Methods of using erivatives are disclosed as being useful in inhibiting activity of enzyme | RIGEL PHARMACEUTICALS, INC. (US) | 2012-01-17 | — | — | US | disclosed |
| US-8097630-B2 | Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the dthe activity of the receptor protein tyrosine kinase Axl. Methods of using erivatives are disclosed as being useful in inhibiting activity of enzyme | RIGEL PHARMACEUTICALS, INC. (US) | 2012-01-17 | — | — | US | disclosed |
| US-20080153815-A1 | PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2008-06-26 | — | — | US | disclosed |
| US-20080153815-A1 | PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2008-06-26 | — | — | US | disclosed |