SCHEMBL19460982

SCHEMBL19460982

C[C@H]1COCCN1c1nc(-c2cnc(N)nc2C(F)(F)F)cc(N2CC(F)(F)C2)n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 16/20 0.64
▸ PIK3CA P42336 11/20 0.64
▸ PIK3CB P42338 6/20 0.62
▸ PIK3CD O00329 1/20 0.53
▸ PIK3CG P48736 1/20 0.53
▸ RPTOR Q8N122 1/20 0.53
▸ MLST8 Q9BVC4 1/20 0.53

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
SCHEMBL19460992 1.00 MTOR (0.64) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19631514 0.91 MTOR (0.75) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19629362 0.91 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19460915 0.90 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19479130 0.90 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19457633 0.90 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19457723 0.90 MTOR (0.66) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19460657 0.90 MTOR (0.66) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19460574 0.89 MTOR (0.65) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19460996 0.89 MTOR (0.65) MTORPIK3CAPIK3CBPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017178591-A1 4-(AZETIDIN-1-YL)PYRIMIDINE DERIVATIVES WITH ANTI-MITOTIC AND ANTI-PROLIFERATIVE ACTIVITY UNIVERSITÄT BASEL (CH) 2017-10-19 — — WO disclosed
WO-2017178591-A1 4-(AZETIDIN-1-YL)PYRIMIDINE DERIVATIVES WITH ANTI-MITOTIC AND ANTI-PROLIFERATIVE ACTIVITY UNIVERSITÄT BASEL (CH) 2017-10-19 — — WO disclosed
EP-3231799-A1 4-(AZETIDIN-1-YL)PYRIMIDINE DERIVATIVES WITH ANTI-MITOTIC AND ANTI-PROLIFERATIVE ACTIVITY Universität Basel (CH) 2017-10-18 — — EP disclosed
EP-3231799-A1 4-(AZETIDIN-1-YL)PYRIMIDINE DERIVATIVES WITH ANTI-MITOTIC AND ANTI-PROLIFERATIVE ACTIVITY Universität Basel (CH) 2017-10-18 — — EP disclosed
Send feedback