SCHEMBL10076397

SCHEMBL10076397

O=C1N[C@H](c2ccc(OCCO)cc2)C(=O)N1C(Cc1ccc(F)cc1)c1nc2cc(I)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.38
PDE3B Q13370 7/20 0.32
PDE3A Q14432 7/20 0.32
P2RY12 Q9H244 1/20 0.32
PTPN1 P18031 5/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
CCR3 P51677 1/20 0.30
F9 P00740 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL845085 1.00 MAP2K1 (0.38) MAP2K1PDE3BPDE3AP2RY12PTPN1
SCHEMBL844695 1.00 MAP2K1 (0.38) MAP2K1PDE3BPDE3AP2RY12PTPN1
SCHEMBL859794 0.92 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12PTPN1
SCHEMBL10076793 0.92 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12PTPN1
SCHEMBL843993 0.92 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12PTPN1
SCHEMBL844826 0.92 MAP2K1 (0.37) MAP2K1PDE3BPDE3AP2RY12PTPN1
SCHEMBL844360 0.92 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12S1PR1
SCHEMBL844361 0.92 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12S1PR1
SCHEMBL844406 0.86 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12PTPN1
SCHEMBL844101 0.86 MAP2K1 (0.41) MAP2K1PDE3BPDE3AP2RY12PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116617401-A Compositions for treating cancer using PD-1 axis binding antagonists and MEK inhibitors 豪夫迈·罗氏有限公司 2023-08-22 CN disclosed
EP-3563870-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS F. Hoffmann-La Roche AG (CH) 2019-11-06 EP disclosed
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed