SCHEMBL7804383

SCHEMBL7804383

Cc1cc(I)ccc1Nc1c(C(=O)NCCCN2CCCCC2)ccc(F)c1F.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCCN1CCCCC1.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCN1CCCC1.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCN1CCOCC1.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
BCL3 P20749 5/20 0.44
PDGFRB P09619 2/20 0.40
KIT P10721 2/20 0.40
KDR P35968 2/20 0.40
MAP2K1 Q02750 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MAP2K2 P36507 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL8168166 0.91 BCL3 (0.43) KMT2ABCL3PDGFRBKITKDR
SCHEMBL8169156 0.86 KMT2A (0.56) KMT2ABCL3PDGFRBKITKDR
SCHEMBL6035215 0.82 MAP2K2 (0.56) KMT2ABCL3MAP2K1MAP2K2ALDH1A1
SCHEMBL6035261 0.82 MAP2K1 (0.56) KMT2APDGFRBMAP2K1MAP2K2
SCHEMBL6035287 0.80 BCL3 (0.59) KMT2ABCL3PDGFRBKITKDR
SCHEMBL6035311 0.80 KMT2A (0.49) KMT2APDGFRBKITKDRMAP2K1
SCHEMBL6035749 0.80 MAP2K1 (0.59) KMT2APDGFRBMAP2K1MAP2K2
SCHEMBL6035847 0.80 NPC1 (0.46) KMT2AMAP2K1MAP2K2ALDH1A1KDM4E
SCHEMBL6035306 0.78 CYP1A2 (0.48) KMT2ABCL3PDGFRBKITKDR
SCHEMBL7784789 0.78 MAP2K2 (0.46) KMT2ABCL3MAP2K1MAP2K2CDK1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP disclosed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed