Methane

Methane

SCHEMBL5265578

C.O=c1ccc2cnc3nc2n1CC1CCCCC1[S+]3[O-]

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 17/20 0.34
CDK2 P24941 15/20 0.34
CDK4 P11802 11/20 0.34
CCND2 P30279 8/20 0.34
CCND3 P30281 8/20 0.34
CCNA2 P20248 4/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
CCNE1 P24864 13/20 0.33
CDK6 Q00534 9/20 0.33
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
CCNA1 P78396 3/20 0.32
CCNB2 O95067 2/20 0.31
CCNE2 O96020 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNB3 Q8WWL7 2/20 0.31

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
Methane SCHEMBL4875868 0.79 CCND1 (0.43) CCND1CDK2CDK4CCND2CCND3
Methane SCHEMBL4833118 0.77 CCND1 (0.41) CCND1CDK2CDK4CCND2CCND3
Methane SCHEMBL5264733 0.73 CDK4 (0.30) CCND1CDK4CCND2CCND3
Methane SCHEMBL4833545 0.62 CDK4 (0.40) CCND1CDK4CCND2CCND3FGFR1
Methane SCHEMBL28575123 0.60 NUAK1 (0.43) CCND1CDK2CDK4CCNA2FGFR1
Methane SCHEMBL28462333 0.58 CCNE1 (0.31) CCND1CDK2CCNE1CDK6
Methane SCHEMBL4832996 0.57 CDK4 (0.40) CCND1CDK2CDK4CCND2CCND3
Methane SCHEMBL6943814 0.57 CDK4 (0.40) CCND1CDK4CCND2CCND3CDK6
Methane SCHEMBL4832629 0.57 CDK4 (0.40) CCND1CDK2CDK4CCND2CCND3
Methane SCHEMBL28475491 0.57 CCNE1 (0.31) CCND1CDK2CCNE1CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP claimed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US claimed
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 WO disclosed